The aggregated unfitted finite element method for elliptic problems

NASA Astrophysics Data System (ADS)

Badia, Santiago; Verdugo, Francesc; Martín, Alberto F.

2018-07-01

Unfitted finite element techniques are valuable tools in different applications where the generation of body-fitted meshes is difficult. However, these techniques are prone to severe ill conditioning problems that obstruct the efficient use of iterative Krylov methods and, in consequence, hinders the practical usage of unfitted methods for realistic large scale applications. In this work, we present a technique that addresses such conditioning problems by constructing enhanced finite element spaces based on a cell aggregation technique. The presented method, called aggregated unfitted finite element method, is easy to implement, and can be used, in contrast to previous works, in Galerkin approximations of coercive problems with conforming Lagrangian finite element spaces. The mathematical analysis of the new method states that the condition number of the resulting linear system matrix scales as in standard finite elements for body-fitted meshes, without being affected by small cut cells, and that the method leads to the optimal finite element convergence order. These theoretical results are confirmed with 2D and 3D numerical experiments.

Development of the US3D Code for Advanced Compressible and Reacting Flow Simulations

NASA Technical Reports Server (NTRS)

Candler, Graham V.; Johnson, Heath B.; Nompelis, Ioannis; Subbareddy, Pramod K.; Drayna, Travis W.; Gidzak, Vladimyr; Barnhardt, Michael D.

2015-01-01

Aerothermodynamics and hypersonic flows involve complex multi-disciplinary physics, including finite-rate gas-phase kinetics, finite-rate internal energy relaxation, gas-surface interactions with finite-rate oxidation and sublimation, transition to turbulence, large-scale unsteadiness, shock-boundary layer interactions, fluid-structure interactions, and thermal protection system ablation and thermal response. Many of the flows have a large range of length and time scales, requiring large computational grids, implicit time integration, and large solution run times. The University of Minnesota NASA US3D code was designed for the simulation of these complex, highly-coupled flows. It has many of the features of the well-established DPLR code, but uses unstructured grids and has many advanced numerical capabilities and physical models for multi-physics problems. The main capabilities of the code are described, the physical modeling approaches are discussed, the different types of numerical flux functions and time integration approaches are outlined, and the parallelization strategy is overviewed. Comparisons between US3D and the NASA DPLR code are presented, and several advanced simulations are presented to illustrate some of novel features of the code.

Large-scale exact diagonalizations reveal low-momentum scales of nuclei

NASA Astrophysics Data System (ADS)

Forssén, C.; Carlsson, B. D.; Johansson, H. T.; Sääf, D.; Bansal, A.; Hagen, G.; Papenbrock, T.

2018-03-01

Ab initio methods aim to solve the nuclear many-body problem with controlled approximations. Virtually exact numerical solutions for realistic interactions can only be obtained for certain special cases such as few-nucleon systems. Here we extend the reach of exact diagonalization methods to handle model spaces with dimension exceeding 1010 on a single compute node. This allows us to perform no-core shell model (NCSM) calculations for 6Li in model spaces up to Nmax=22 and to reveal the 4He+d halo structure of this nucleus. Still, the use of a finite harmonic-oscillator basis implies truncations in both infrared (IR) and ultraviolet (UV) length scales. These truncations impose finite-size corrections on observables computed in this basis. We perform IR extrapolations of energies and radii computed in the NCSM and with the coupled-cluster method at several fixed UV cutoffs. It is shown that this strategy enables information gain also from data that is not fully UV converged. IR extrapolations improve the accuracy of relevant bound-state observables for a range of UV cutoffs, thus making them profitable tools. We relate the momentum scale that governs the exponential IR convergence to the threshold energy for the first open decay channel. Using large-scale NCSM calculations we numerically verify this small-momentum scale of finite nuclei.

Multi-scale modeling of multi-component reactive transport in geothermal aquifers

NASA Astrophysics Data System (ADS)

Nick, Hamidreza M.; Raoof, Amir; Wolf, Karl-Heinz; Bruhn, David

2014-05-01

In deep geothermal systems heat and chemical stresses can cause physical alterations, which may have a significant effect on flow and reaction rates. As a consequence it will lead to changes in permeability and porosity of the formations due to mineral precipitation and dissolution. Large-scale modeling of reactive transport in such systems is still challenging. A large area of uncertainty is the way in which the pore-scale information controlling the flow and reaction will behave at a larger scale. A possible choice is to use constitutive relationships relating, for example the permeability and porosity evolutions to the change in the pore geometry. While determining such relationships through laboratory experiments may be limited, pore-network modeling provides an alternative solution. In this work, we introduce a new workflow in which a hybrid Finite-Element Finite-Volume method [1,2] and a pore network modeling approach [3] are employed. Using the pore-scale model, relevant constitutive relations are developed. These relations are then embedded in the continuum-scale model. This approach enables us to study non-isothermal reactive transport in porous media while accounting for micro-scale features under realistic conditions. The performance and applicability of the proposed model is explored for different flow and reaction regimes. References: 1. Matthäi, S.K., et al.: Simulation of solute transport through fractured rock: a higher-order accurate finite-element finite-volume method permitting large time steps. Transport in porous media 83.2 (2010): 289-318. 2. Nick, H.M., et al.: Reactive dispersive contaminant transport in coastal aquifers: Numerical simulation of a reactive Henry problem. Journal of contaminant hydrology 145 (2012), 90-104. 3. Raoof A., et al.: PoreFlow: A Complex pore-network model for simulation of reactive transport in variably saturated porous media, Computers & Geosciences, 61, (2013), 160-174.

Transient analysis of 1D inhomogeneous media by dynamic inhomogeneous finite element method

NASA Astrophysics Data System (ADS)

Yang, Zailin; Wang, Yao; Hei, Baoping

2013-12-01

The dynamic inhomogeneous finite element method is studied for use in the transient analysis of onedimensional inhomogeneous media. The general formula of the inhomogeneous consistent mass matrix is established based on the shape function. In order to research the advantages of this method, it is compared with the general finite element method. A linear bar element is chosen for the discretization tests of material parameters with two fictitious distributions. And, a numerical example is solved to observe the differences in the results between these two methods. Some characteristics of the dynamic inhomogeneous finite element method that demonstrate its advantages are obtained through comparison with the general finite element method. It is found that the method can be used to solve elastic wave motion problems with a large element scale and a large number of iteration steps.

Parallel Domain Decomposition Formulation and Software for Large-Scale Sparse Symmetrical/Unsymmetrical Aeroacoustic Applications

NASA Technical Reports Server (NTRS)

Nguyen, D. T.; Watson, Willie R. (Technical Monitor)

2005-01-01

The overall objectives of this research work are to formulate and validate efficient parallel algorithms, and to efficiently design/implement computer software for solving large-scale acoustic problems, arised from the unified frameworks of the finite element procedures. The adopted parallel Finite Element (FE) Domain Decomposition (DD) procedures should fully take advantages of multiple processing capabilities offered by most modern high performance computing platforms for efficient parallel computation. To achieve this objective. the formulation needs to integrate efficient sparse (and dense) assembly techniques, hybrid (or mixed) direct and iterative equation solvers, proper pre-conditioned strategies, unrolling strategies, and effective processors' communicating schemes. Finally, the numerical performance of the developed parallel finite element procedures will be evaluated by solving series of structural, and acoustic (symmetrical and un-symmetrical) problems (in different computing platforms). Comparisons with existing "commercialized" and/or "public domain" software are also included, whenever possible.

A k-space method for large-scale models of wave propagation in tissue.

PubMed

Mast, T D; Souriau, L P; Liu, D L; Tabei, M; Nachman, A I; Waag, R C

2001-03-01

Large-scale simulation of ultrasonic pulse propagation in inhomogeneous tissue is important for the study of ultrasound-tissue interaction as well as for development of new imaging methods. Typical scales of interest span hundreds of wavelengths; most current two-dimensional methods, such as finite-difference and finite-element methods, are unable to compute propagation on this scale with the efficiency needed for imaging studies. Furthermore, for most available methods of simulating ultrasonic propagation, large-scale, three-dimensional computations of ultrasonic scattering are infeasible. Some of these difficulties have been overcome by previous pseudospectral and k-space methods, which allow substantial portions of the necessary computations to be executed using fast Fourier transforms. This paper presents a simplified derivation of the k-space method for a medium of variable sound speed and density; the derivation clearly shows the relationship of this k-space method to both past k-space methods and pseudospectral methods. In the present method, the spatial differential equations are solved by a simple Fourier transform method, and temporal iteration is performed using a k-t space propagator. The temporal iteration procedure is shown to be exact for homogeneous media, unconditionally stable for "slow" (c(x) < or = c0) media, and highly accurate for general weakly scattering media. The applicability of the k-space method to large-scale soft tissue modeling is shown by simulating two-dimensional propagation of an incident plane wave through several tissue-mimicking cylinders as well as a model chest wall cross section. A three-dimensional implementation of the k-space method is also employed for the example problem of propagation through a tissue-mimicking sphere. Numerical results indicate that the k-space method is accurate for large-scale soft tissue computations with much greater efficiency than that of an analogous leapfrog pseudospectral method or a 2-4 finite difference time-domain method. However, numerical results also indicate that the k-space method is less accurate than the finite-difference method for a high contrast scatterer with bone-like properties, although qualitative results can still be obtained by the k-space method with high efficiency. Possible extensions to the method, including representation of absorption effects, absorbing boundary conditions, elastic-wave propagation, and acoustic nonlinearity, are discussed.

Viscous-enstrophy scaling law for Navier-Stokes reconnection

NASA Astrophysics Data System (ADS)

Kerr, Robert M.

2017-11-01

Simulations of perturbed, helical trefoil vortex knots and anti-parallel vortices find ν-independent collapse of temporally scaled (√{ ν} Z) - 1 / 2, Z enstrophy, between when the loops first touch at tΓ, and when reconnection ends at tx for the viscosity ν varying by 256. Due to mathematical bounds upon higher-order norms, this collapse requires that the domain increase as ν decreases, possibly to allow large-scale negative helicity to grow as compensation for small-scale positive helicity and enstrophy growth. This mechanism could be a step towards explaining how smooth solutions of the Navier-Stokes can generate finite-energy dissipation in a finite time as ν -> 0 .

Single-trabecula building block for large-scale finite element models of cancellous bone.

PubMed

Dagan, D; Be'ery, M; Gefen, A

2004-07-01

Recent development of high-resolution imaging of cancellous bone allows finite element (FE) analysis of bone tissue stresses and strains in individual trabeculae. However, specimen-specific stress/strain analyses can include effects of anatomical variations and local damage that can bias the interpretation of the results from individual specimens with respect to large populations. This study developed a standard (generic) 'building-block' of a trabecula for large-scale FE models. Being parametric and based on statistics of dimensions of ovine trabeculae, this building block can be scaled for trabecular thickness and length and be used in commercial or custom-made FE codes to construct generic, large-scale FE models of bone, using less computer power than that currently required to reproduce the accurate micro-architecture of trabecular bone. Orthogonal lattices constructed with this building block, after it was scaled to trabeculae of the human proximal femur, provided apparent elastic moduli of approximately 150 MPa, in good agreement with experimental data for the stiffness of cancellous bone from this site. Likewise, lattices with thinner, osteoporotic-like trabeculae could predict a reduction of approximately 30% in the apparent elastic modulus, as reported in experimental studies of osteoporotic femora. Based on these comparisons, it is concluded that the single-trabecula element developed in the present study is well-suited for representing cancellous bone in large-scale generic FE simulations.

Grid sensitivity capability for large scale structures

NASA Technical Reports Server (NTRS)

Nagendra, Gopal K.; Wallerstein, David V.

1989-01-01

The considerations and the resultant approach used to implement design sensitivity capability for grids into a large scale, general purpose finite element system (MSC/NASTRAN) are presented. The design variables are grid perturbations with a rather general linking capability. Moreover, shape and sizing variables may be linked together. The design is general enough to facilitate geometric modeling techniques for generating design variable linking schemes in an easy and straightforward manner. Test cases have been run and validated by comparison with the overall finite difference method. The linking of a design sensitivity capability for shape variables in MSC/NASTRAN with an optimizer would give designers a powerful, automated tool to carry out practical optimization design of real life, complicated structures.

A new parallel-vector finite element analysis software on distributed-memory computers

NASA Technical Reports Server (NTRS)

Qin, Jiangning; Nguyen, Duc T.

1993-01-01

A new parallel-vector finite element analysis software package MPFEA (Massively Parallel-vector Finite Element Analysis) is developed for large-scale structural analysis on massively parallel computers with distributed-memory. MPFEA is designed for parallel generation and assembly of the global finite element stiffness matrices as well as parallel solution of the simultaneous linear equations, since these are often the major time-consuming parts of a finite element analysis. Block-skyline storage scheme along with vector-unrolling techniques are used to enhance the vector performance. Communications among processors are carried out concurrently with arithmetic operations to reduce the total execution time. Numerical results on the Intel iPSC/860 computers (such as the Intel Gamma with 128 processors and the Intel Touchstone Delta with 512 processors) are presented, including an aircraft structure and some very large truss structures, to demonstrate the efficiency and accuracy of MPFEA.

Finite-size scaling of eigenstate thermalization

NASA Astrophysics Data System (ADS)

Beugeling, W.; Moessner, R.; Haque, Masudul

2014-04-01

According to the eigenstate thermalization hypothesis (ETH), even isolated quantum systems can thermalize because the eigenstate-to-eigenstate fluctuations of typical observables vanish in the limit of large systems. Of course, isolated systems are by nature finite and the main way of computing such quantities is through numerical evaluation for finite-size systems. Therefore, the finite-size scaling of the fluctuations of eigenstate expectation values is a central aspect of the ETH. In this work, we present numerical evidence that for generic nonintegrable systems these fluctuations scale with a universal power law D-1/2 with the dimension D of the Hilbert space. We provide heuristic arguments, in the same spirit as the ETH, to explain this universal result. Our results are based on the analysis of three families of models and several observables for each model. Each family includes integrable members and we show how the system size where the universal power law becomes visible is affected by the proximity to integrability.

Correlation of finite-element structural dynamic analysis with measured free vibration characteristics for a full-scale helicopter fuselage

NASA Technical Reports Server (NTRS)

Kenigsberg, I. J.; Dean, M. W.; Malatino, R.

1974-01-01

The correlation achieved with each program provides the material for a discussion of modeling techniques developed for general application to finite-element dynamic analyses of helicopter airframes. Included are the selection of static and dynamic degrees of freedom, cockpit structural modeling, and the extent of flexible-frame modeling in the transmission support region and in the vicinity of large cut-outs. The sensitivity of predicted results to these modeling assumptions are discussed. Both the Sikorsky Finite-Element Airframe Vibration analysis Program (FRAN/Vibration Analysis) and the NASA Structural Analysis Program (NASTRAN) have been correlated with data taken in full-scale vibration tests of a modified CH-53A helicopter.

The large-N Yang-Mills S matrix is ultraviolet finite, but the large-N QCD S matrix is only renormalizable

NASA Astrophysics Data System (ADS)

Bochicchio, Marco

2017-03-01

Yang-Mills (YM) theory and QCD are known to be renormalizable, but not ultraviolet (UV) finite, order by order, in perturbation theory. It is a fundamental question whether YM theory or QCD is UV finite, or only renormalizable, order by order, in the large-N 't Hooft or Veneziano expansions. We demonstrate that the renormalization group (RG) and asymptotic freedom imply that in 't Hooft large-N expansion the S matrix in YM theory is UV finite, while in both 't Hooft and Veneziano large-N expansions, the S matrix in confining massless QCD is renormalizable but not UV finite. By the same argument, the large-N N =1 supersymmetry (SUSY) YM S matrix is UV finite as well. Besides, we demonstrate that, in both 't Hooft and Veneziano large-N expansions, the correlators of local gauge-invariant operators, as opposed to the S matrix, are renormalizable but, in general, not UV finite, either in YM theory and N =1 SUSY YM theory or a fortiori in massless QCD. Moreover, we compute explicitly the counterterms that arise from renormalizing the 't Hooft and Veneziano expansions by deriving in confining massless QCD-like theories a low-energy theorem of the Novikov-Shifman-Vainshtein-Zakharov type that relates the log derivative with respect to the gauge coupling of a k -point correlator, or the log derivative with respect to the RG-invariant scale, to a (k +1 )-point correlator with the insertion of Tr F2 at zero momentum. Finally, we argue that similar results hold in the large-N limit of a vast class of confining massive QCD-like theories, provided a renormalization scheme exists—as, for example, MS ¯ —in which the beta function is not dependent on the masses. Specifically, in both 't Hooft and Veneziano large-N expansions, the S matrix in confining massive QCD and massive N =1 SUSY QCD is renormalizable but not UV finite.

Posttest analysis of a 1:6-scale reinforced concrete reactor containment building

DOE Office of Scientific and Technical Information (OSTI.GOV)

Weatherby, J.R.

In an experiment conducted at Sandia National Laboratories, 1:6-scale model of a reinforced concrete light water reactor containment building was pressurized with nitrogen gas to more than three times its design pressure. The pressurization produced one large tear and several smaller tears in the steel liner plate that functioned as the primary pneumatic seal for the structure. The data collected from the overpressurization test have been used to evaluate and further refine methods of structural analysis that can be used to predict the performance of containment buildings under conditions produced by a severe accident. This report describes posttest finite elementmore » analyses of the 1:6-scale model tests and compares pretest predictions of the structural response to the experimental results. Strain and displacements calculated in axisymmetric finite element analyses of the 1:6-scale model are compared to strains and displacement measured in the experiment. Detailed analyses of the liner plate are also described in the report. The region of the liner surrounding the large tear was analyzed using two different two-dimensional finite elements model. The results from these analyzed indicate that the primary mechanisms that initiated the tear can be captured in a two- dimensional finite element model. Furthermore, the analyses show that studs used to anchor the liner to the concrete wall, played an important role in initiating the liner tear. Three-dimensional finite element analyses of liner plates loaded by studs are also presented. Results from the three-dimensional analyses are compared to results from two-dimensional analyses of the same problems. 12 refs., 56 figs., 1 tab.« less

On the wavelet optimized finite difference method

NASA Technical Reports Server (NTRS)

Jameson, Leland

1994-01-01

When one considers the effect in the physical space, Daubechies-based wavelet methods are equivalent to finite difference methods with grid refinement in regions of the domain where small scale structure exists. Adding a wavelet basis function at a given scale and location where one has a correspondingly large wavelet coefficient is, essentially, equivalent to adding a grid point, or two, at the same location and at a grid density which corresponds to the wavelet scale. This paper introduces a wavelet optimized finite difference method which is equivalent to a wavelet method in its multiresolution approach but which does not suffer from difficulties with nonlinear terms and boundary conditions, since all calculations are done in the physical space. With this method one can obtain an arbitrarily good approximation to a conservative difference method for solving nonlinear conservation laws.

Towards large scale multi-target tracking

NASA Astrophysics Data System (ADS)

Vo, Ba-Ngu; Vo, Ba-Tuong; Reuter, Stephan; Lam, Quang; Dietmayer, Klaus

2014-06-01

Multi-target tracking is intrinsically an NP-hard problem and the complexity of multi-target tracking solutions usually do not scale gracefully with problem size. Multi-target tracking for on-line applications involving a large number of targets is extremely challenging. This article demonstrates the capability of the random finite set approach to provide large scale multi-target tracking algorithms. In particular it is shown that an approximate filter known as the labeled multi-Bernoulli filter can simultaneously track one thousand five hundred targets in clutter on a standard laptop computer.

Energy and technology review: Engineering modeling

DOE Office of Scientific and Technical Information (OSTI.GOV)

Cabayan, H.S.; Goudreau, G.L.; Ziolkowski, R.W.

1986-10-01

This report presents information concerning: Modeling Canonical Problems in Electromagnetic Coupling Through Apertures; Finite-Element Codes for Computing Electrostatic Fields; Finite-Element Modeling of Electromagnetic Phenomena; Modeling Microwave-Pulse Compression in a Resonant Cavity; Lagrangian Finite-Element Analysis of Penetration Mechanics; Crashworthiness Engineering; Computer Modeling of Metal-Forming Processes; Thermal-Mechanical Modeling of Tungsten Arc Welding; Modeling Air Breakdown Induced by Electromagnetic Fields; Iterative Techniques for Solving Boltzmann's Equations for p-Type Semiconductors; Semiconductor Modeling; and Improved Numerical-Solution Techniques in Large-Scale Stress Analysis.

Finite-Size Scaling of a First-Order Dynamical Phase Transition: Adaptive Population Dynamics and an Effective Model

NASA Astrophysics Data System (ADS)

Nemoto, Takahiro; Jack, Robert L.; Lecomte, Vivien

2017-03-01

We analyze large deviations of the time-averaged activity in the one-dimensional Fredrickson-Andersen model, both numerically and analytically. The model exhibits a dynamical phase transition, which appears as a singularity in the large deviation function. We analyze the finite-size scaling of this phase transition numerically, by generalizing an existing cloning algorithm to include a multicanonical feedback control: this significantly improves the computational efficiency. Motivated by these numerical results, we formulate an effective theory for the model in the vicinity of the phase transition, which accounts quantitatively for the observed behavior. We discuss potential applications of the numerical method and the effective theory in a range of more general contexts.

Newmark local time stepping on high-performance computing architectures

DOE Office of Scientific and Technical Information (OSTI.GOV)

Rietmann, Max, E-mail: max.rietmann@erdw.ethz.ch; Institute of Geophysics, ETH Zurich; Grote, Marcus, E-mail: marcus.grote@unibas.ch

In multi-scale complex media, finite element meshes often require areas of local refinement, creating small elements that can dramatically reduce the global time-step for wave-propagation problems due to the CFL condition. Local time stepping (LTS) algorithms allow an explicit time-stepping scheme to adapt the time-step to the element size, allowing near-optimal time-steps everywhere in the mesh. We develop an efficient multilevel LTS-Newmark scheme and implement it in a widely used continuous finite element seismic wave-propagation package. In particular, we extend the standard LTS formulation with adaptations to continuous finite element methods that can be implemented very efficiently with very strongmore » element-size contrasts (more than 100x). Capable of running on large CPU and GPU clusters, we present both synthetic validation examples and large scale, realistic application examples to demonstrate the performance and applicability of the method and implementation on thousands of CPU cores and hundreds of GPUs.« less

Random-field-induced disordering mechanism in a disordered ferromagnet: Between the Imry-Ma and the standard disordering mechanism

NASA Astrophysics Data System (ADS)

Andresen, Juan Carlos; Katzgraber, Helmut G.; Schechter, Moshe

2017-12-01

Random fields disorder Ising ferromagnets by aligning single spins in the direction of the random field in three space dimensions, or by flipping large ferromagnetic domains at dimensions two and below. While the former requires random fields of typical magnitude similar to the interaction strength, the latter Imry-Ma mechanism only requires infinitesimal random fields. Recently, it has been shown that for dilute anisotropic dipolar systems a third mechanism exists, where the ferromagnetic phase is disordered by finite-size glassy domains at a random field of finite magnitude that is considerably smaller than the typical interaction strength. Using large-scale Monte Carlo simulations and zero-temperature numerical approaches, we show that this mechanism applies to disordered ferromagnets with competing short-range ferromagnetic and antiferromagnetic interactions, suggesting its generality in ferromagnetic systems with competing interactions and an underlying spin-glass phase. A finite-size-scaling analysis of the magnetization distribution suggests that the transition might be first order.

Maximum one-shot dissipated work from Rényi divergences

NASA Astrophysics Data System (ADS)

Yunger Halpern, Nicole; Garner, Andrew J. P.; Dahlsten, Oscar C. O.; Vedral, Vlatko

2018-05-01

Thermodynamics describes large-scale, slowly evolving systems. Two modern approaches generalize thermodynamics: fluctuation theorems, which concern finite-time nonequilibrium processes, and one-shot statistical mechanics, which concerns small scales and finite numbers of trials. Combining these approaches, we calculate a one-shot analog of the average dissipated work defined in fluctuation contexts: the cost of performing a protocol in finite time instead of quasistatically. The average dissipated work has been shown to be proportional to a relative entropy between phase-space densities, to a relative entropy between quantum states, and to a relative entropy between probability distributions over possible values of work. We derive one-shot analogs of all three equations, demonstrating that the order-infinity Rényi divergence is proportional to the maximum possible dissipated work in each case. These one-shot analogs of fluctuation-theorem results contribute to the unification of these two toolkits for small-scale, nonequilibrium statistical physics.

Maximum one-shot dissipated work from Rényi divergences.

PubMed

Yunger Halpern, Nicole; Garner, Andrew J P; Dahlsten, Oscar C O; Vedral, Vlatko

2018-05-01

Thermodynamics describes large-scale, slowly evolving systems. Two modern approaches generalize thermodynamics: fluctuation theorems, which concern finite-time nonequilibrium processes, and one-shot statistical mechanics, which concerns small scales and finite numbers of trials. Combining these approaches, we calculate a one-shot analog of the average dissipated work defined in fluctuation contexts: the cost of performing a protocol in finite time instead of quasistatically. The average dissipated work has been shown to be proportional to a relative entropy between phase-space densities, to a relative entropy between quantum states, and to a relative entropy between probability distributions over possible values of work. We derive one-shot analogs of all three equations, demonstrating that the order-infinity Rényi divergence is proportional to the maximum possible dissipated work in each case. These one-shot analogs of fluctuation-theorem results contribute to the unification of these two toolkits for small-scale, nonequilibrium statistical physics.

Finite-difference method Stokes solver (FDMSS) for 3D pore geometries: Software development, validation and case studies

NASA Astrophysics Data System (ADS)

Gerke, Kirill M.; Vasilyev, Roman V.; Khirevich, Siarhei; Collins, Daniel; Karsanina, Marina V.; Sizonenko, Timofey O.; Korost, Dmitry V.; Lamontagne, Sébastien; Mallants, Dirk

2018-05-01

Permeability is one of the fundamental properties of porous media and is required for large-scale Darcian fluid flow and mass transport models. Whilst permeability can be measured directly at a range of scales, there are increasing opportunities to evaluate permeability from pore-scale fluid flow simulations. We introduce the free software Finite-Difference Method Stokes Solver (FDMSS) that solves Stokes equation using a finite-difference method (FDM) directly on voxelized 3D pore geometries (i.e. without meshing). Based on explicit convergence studies, validation on sphere packings with analytically known permeabilities, and comparison against lattice-Boltzmann and other published FDM studies, we conclude that FDMSS provides a computationally efficient and accurate basis for single-phase pore-scale flow simulations. By implementing an efficient parallelization and code optimization scheme, permeability inferences can now be made from 3D images of up to 109 voxels using modern desktop computers. Case studies demonstrate the broad applicability of the FDMSS software for both natural and artificial porous media.

Towards mechanism-based simulation of impact damage using exascale computing

NASA Astrophysics Data System (ADS)

Shterenlikht, Anton; Margetts, Lee; McDonald, Samuel; Bourne, Neil K.

2017-01-01

Over the past 60 years, the finite element method has been very successful in modelling deformation in engineering structures. However the method requires the definition of constitutive models that represent the response of the material to applied loads. There are two issues. Firstly, the models are often difficult to define. Secondly, there is often no physical connection between the models and the mechanisms that accommodate deformation. In this paper, we present a potentially disruptive two-level strategy which couples the finite element method at the macroscale with cellular automata at the mesoscale. The cellular automata are used to simulate mechanisms, such as crack propagation. The stress-strain relationship emerges as a continuum mechanics scale interpretation of changes at the micro- and meso-scales. Iterative two-way updating between the cellular automata and finite elements drives the simulation forward as the material undergoes progressive damage at high strain rates. The strategy is particularly attractive on large-scale computing platforms as both methods scale well on tens of thousands of CPUs.

Large-eddy simulation using the finite element method

DOE Office of Scientific and Technical Information (OSTI.GOV)

McCallen, R.C.; Gresho, P.M.; Leone, J.M. Jr.

1993-10-01

In a large-eddy simulation (LES) of turbulent flows, the large-scale motion is calculated explicitly (i.e., approximated with semi-empirical relations). Typically, finite difference or spectral numerical schemes are used to generate an LES; the use of finite element methods (FEM) has been far less prominent. In this study, we demonstrate that FEM in combination with LES provides a viable tool for the study of turbulent, separating channel flows, specifically the flow over a two-dimensional backward-facing step. The combination of these methodologies brings together the advantages of each: LES provides a high degree of accuracy with a minimum of empiricism for turbulencemore » modeling and FEM provides a robust way to simulate flow in very complex domains of practical interest. Such a combination should prove very valuable to the engineering community.« less

An Optimization Code for Nonlinear Transient Problems of a Large Scale Multidisciplinary Mathematical Model

NASA Astrophysics Data System (ADS)

Takasaki, Koichi

This paper presents a program for the multidisciplinary optimization and identification problem of the nonlinear model of large aerospace vehicle structures. The program constructs the global matrix of the dynamic system in the time direction by the p-version finite element method (pFEM), and the basic matrix for each pFEM node in the time direction is described by a sparse matrix similarly to the static finite element problem. The algorithm used by the program does not require the Hessian matrix of the objective function and so has low memory requirements. It also has a relatively low computational cost, and is suited to parallel computation. The program was integrated as a solver module of the multidisciplinary analysis system CUMuLOUS (Computational Utility for Multidisciplinary Large scale Optimization of Undense System) which is under development by the Aerospace Research and Development Directorate (ARD) of the Japan Aerospace Exploration Agency (JAXA).

Numerical simulation using vorticity-vector potential formulation

NASA Technical Reports Server (NTRS)

Tokunaga, Hiroshi

1993-01-01

An accurate and efficient computational method is needed for three-dimensional incompressible viscous flows in engineering applications. On solving the turbulent shear flows directly or using the subgrid scale model, it is indispensable to resolve the small scale fluid motions as well as the large scale motions. From this point of view, the pseudo-spectral method is used so far as the computational method. However, the finite difference or the finite element methods are widely applied for computing the flow with practical importance since these methods are easily applied to the flows with complex geometric configurations. However, there exist several problems in applying the finite difference method to direct and large eddy simulations. Accuracy is one of most important problems. This point was already addressed by the present author on the direct simulations on the instability of the plane Poiseuille flow and also on the transition to turbulence. In order to obtain high efficiency, the multi-grid Poisson solver is combined with the higher-order, accurate finite difference method. The formulation method is also one of the most important problems in applying the finite difference method to the incompressible turbulent flows. The three-dimensional Navier-Stokes equations have been solved so far in the primitive variables formulation. One of the major difficulties of this method is the rigorous satisfaction of the equation of continuity. In general, the staggered grid is used for the satisfaction of the solenoidal condition for the velocity field at the wall boundary. However, the velocity field satisfies the equation of continuity automatically in the vorticity-vector potential formulation. From this point of view, the vorticity-vector potential method was extended to the generalized coordinate system. In the present article, we adopt the vorticity-vector potential formulation, the generalized coordinate system, and the 4th-order accurate difference method as the computational method. We present the computational method and apply the present method to computations of flows in a square cavity at large Reynolds number in order to investigate its effectiveness.

Wavelet and Multiresolution Analysis for Finite Element Networking Paradigms

NASA Technical Reports Server (NTRS)

Kurdila, Andrew J.; Sharpley, Robert C.

1999-01-01

This paper presents a final report on Wavelet and Multiresolution Analysis for Finite Element Networking Paradigms. The focus of this research is to derive and implement: 1) Wavelet based methodologies for the compression, transmission, decoding, and visualization of three dimensional finite element geometry and simulation data in a network environment; 2) methodologies for interactive algorithm monitoring and tracking in computational mechanics; and 3) Methodologies for interactive algorithm steering for the acceleration of large scale finite element simulations. Also included in this report are appendices describing the derivation of wavelet based Particle Image Velocity algorithms and reduced order input-output models for nonlinear systems by utilizing wavelet approximations.

A Mixed Finite Volume Element Method for Flow Calculations in Porous Media

NASA Technical Reports Server (NTRS)

Jones, Jim E.

1996-01-01

A key ingredient in the simulation of flow in porous media is the accurate determination of the velocities that drive the flow. The large scale irregularities of the geology, such as faults, fractures, and layers suggest the use of irregular grids in the simulation. Work has been done in applying the finite volume element (FVE) methodology as developed by McCormick in conjunction with mixed methods which were developed by Raviart and Thomas. The resulting mixed finite volume element discretization scheme has the potential to generate more accurate solutions than standard approaches. The focus of this paper is on a multilevel algorithm for solving the discrete mixed FVE equations. The algorithm uses a standard cell centered finite difference scheme as the 'coarse' level and the more accurate mixed FVE scheme as the 'fine' level. The algorithm appears to have potential as a fast solver for large size simulations of flow in porous media.

Finite-difference modeling with variable grid-size and adaptive time-step in porous media

NASA Astrophysics Data System (ADS)

Liu, Xinxin; Yin, Xingyao; Wu, Guochen

2014-04-01

Forward modeling of elastic wave propagation in porous media has great importance for understanding and interpreting the influences of rock properties on characteristics of seismic wavefield. However, the finite-difference forward-modeling method is usually implemented with global spatial grid-size and time-step; it consumes large amounts of computational cost when small-scaled oil/gas-bearing structures or large velocity-contrast exist underground. To overcome this handicap, combined with variable grid-size and time-step, this paper developed a staggered-grid finite-difference scheme for elastic wave modeling in porous media. Variable finite-difference coefficients and wavefield interpolation were used to realize the transition of wave propagation between regions of different grid-size. The accuracy and efficiency of the algorithm were shown by numerical examples. The proposed method is advanced with low computational cost in elastic wave simulation for heterogeneous oil/gas reservoirs.

Implementation of a finite-amplitude method in a relativistic meson-exchange model

NASA Astrophysics Data System (ADS)

Sun, Xuwei; Lu, Dinghui

2017-08-01

The finite-amplitude method is a feasible numerical approach to large scale random phase approximation calculations. It avoids the storage and calculation of residual interaction elements as well as the diagonalization of the RPA matrix, which will be prohibitive when the configuration space is huge. In this work we finished the implementation of a finite-amplitude method in a relativistic meson exchange mean field model with axial symmetry. The direct variation approach makes our FAM scheme capable of being extended to the multipole excitation case.

A forward-advancing wave expansion method for numerical solution of large-scale sound propagation problems

NASA Astrophysics Data System (ADS)

Rolla, L. Barrera; Rice, H. J.

2006-09-01

In this paper a "forward-advancing" field discretization method suitable for solving the Helmholtz equation in large-scale problems is proposed. The forward wave expansion method (FWEM) is derived from a highly efficient discretization procedure based on interpolation of wave functions known as the wave expansion method (WEM). The FWEM computes the propagated sound field by means of an exclusively forward advancing solution, neglecting the backscattered field. It is thus analogous to methods such as the (one way) parabolic equation method (PEM) (usually discretized using standard finite difference or finite element methods). These techniques do not require the inversion of large system matrices and thus enable the solution of large-scale acoustic problems where backscatter is not of interest. Calculations using FWEM are presented for two propagation problems and comparisons to data computed with analytical and theoretical solutions and show this forward approximation to be highly accurate. Examples of sound propagation over a screen in upwind and downwind refracting atmospheric conditions at low nodal spacings (0.2 per wavelength in the propagation direction) are also included to demonstrate the flexibility and efficiency of the method.

Higher-order finite-difference formulation of periodic Orbital-free Density Functional Theory

DOE Office of Scientific and Technical Information (OSTI.GOV)

Ghosh, Swarnava; Suryanarayana, Phanish, E-mail: phanish.suryanarayana@ce.gatech.edu

2016-02-15

We present a real-space formulation and higher-order finite-difference implementation of periodic Orbital-free Density Functional Theory (OF-DFT). Specifically, utilizing a local reformulation of the electrostatic and kernel terms, we develop a generalized framework for performing OF-DFT simulations with different variants of the electronic kinetic energy. In particular, we propose a self-consistent field (SCF) type fixed-point method for calculations involving linear-response kinetic energy functionals. In this framework, evaluation of both the electronic ground-state and forces on the nuclei are amenable to computations that scale linearly with the number of atoms. We develop a parallel implementation of this formulation using the finite-difference discretization.more » We demonstrate that higher-order finite-differences can achieve relatively large convergence rates with respect to mesh-size in both the energies and forces. Additionally, we establish that the fixed-point iteration converges rapidly, and that it can be further accelerated using extrapolation techniques like Anderson's mixing. We validate the accuracy of the results by comparing the energies and forces with plane-wave methods for selected examples, including the vacancy formation energy in Aluminum. Overall, the suitability of the proposed formulation for scalable high performance computing makes it an attractive choice for large-scale OF-DFT calculations consisting of thousands of atoms.« less

Real-time simulation of large-scale floods

NASA Astrophysics Data System (ADS)

Liu, Q.; Qin, Y.; Li, G. D.; Liu, Z.; Cheng, D. J.; Zhao, Y. H.

2016-08-01

According to the complex real-time water situation, the real-time simulation of large-scale floods is very important for flood prevention practice. Model robustness and running efficiency are two critical factors in successful real-time flood simulation. This paper proposed a robust, two-dimensional, shallow water model based on the unstructured Godunov- type finite volume method. A robust wet/dry front method is used to enhance the numerical stability. An adaptive method is proposed to improve the running efficiency. The proposed model is used for large-scale flood simulation on real topography. Results compared to those of MIKE21 show the strong performance of the proposed model.

Emergence of distributed coordination in the Kolkata Paise Restaurant problem with finite information

NASA Astrophysics Data System (ADS)

Ghosh, Diptesh; Chakrabarti, Anindya S.

2017-10-01

In this paper, we study a large-scale distributed coordination problem and propose efficient adaptive strategies to solve the problem. The basic problem is to allocate finite number of resources to individual agents in the absence of a central planner such that there is as little congestion as possible and the fraction of unutilized resources is reduced as far as possible. In the absence of a central planner and global information, agents can employ adaptive strategies that uses only a finite knowledge about the competitors. In this paper, we show that a combination of finite information sets and reinforcement learning can increase the utilization fraction of resources substantially.

An atomic finite element model for biodegradable polymers. Part 1. Formulation of the finite elements.

PubMed

Gleadall, Andrew; Pan, Jingzhe; Ding, Lifeng; Kruft, Marc-Anton; Curcó, David

2015-11-01

Molecular dynamics (MD) simulations are widely used to analyse materials at the atomic scale. However, MD has high computational demands, which may inhibit its use for simulations of structures involving large numbers of atoms such as amorphous polymer structures. An atomic-scale finite element method (AFEM) is presented in this study with significantly lower computational demands than MD. Due to the reduced computational demands, AFEM is suitable for the analysis of Young's modulus of amorphous polymer structures. This is of particular interest when studying the degradation of bioresorbable polymers, which is the topic of an accompanying paper. AFEM is derived from the inter-atomic potential energy functions of an MD force field. The nonlinear MD functions were adapted to enable static linear analysis. Finite element formulations were derived to represent interatomic potential energy functions between two, three and four atoms. Validation of the AFEM was conducted through its application to atomic structures for crystalline and amorphous poly(lactide). Copyright © 2015 Elsevier Ltd. All rights reserved.

Universality from disorder in the random-bond Blume-Capel model

NASA Astrophysics Data System (ADS)

Fytas, N. G.; Zierenberg, J.; Theodorakis, P. E.; Weigel, M.; Janke, W.; Malakis, A.

2018-04-01

Using high-precision Monte Carlo simulations and finite-size scaling we study the effect of quenched disorder in the exchange couplings on the Blume-Capel model on the square lattice. The first-order transition for large crystal-field coupling is softened to become continuous, with a divergent correlation length. An analysis of the scaling of the correlation length as well as the susceptibility and specific heat reveals that it belongs to the universality class of the Ising model with additional logarithmic corrections which is also observed for the Ising model itself if coupled to weak disorder. While the leading scaling behavior of the disordered system is therefore identical between the second-order and first-order segments of the phase diagram of the pure model, the finite-size scaling in the ex-first-order regime is affected by strong transient effects with a crossover length scale L*≈32 for the chosen parameters.

A fully coupled method for massively parallel simulation of hydraulically driven fractures in 3-dimensions: FULLY COUPLED PARALLEL SIMULATION OF HYDRAULIC FRACTURES IN 3-D

DOE PAGES

Settgast, Randolph R.; Fu, Pengcheng; Walsh, Stuart D. C.; ...

2016-09-18

This study describes a fully coupled finite element/finite volume approach for simulating field-scale hydraulically driven fractures in three dimensions, using massively parallel computing platforms. The proposed method is capable of capturing realistic representations of local heterogeneities, layering and natural fracture networks in a reservoir. A detailed description of the numerical implementation is provided, along with numerical studies comparing the model with both analytical solutions and experimental results. The results demonstrate the effectiveness of the proposed method for modeling large-scale problems involving hydraulically driven fractures in three dimensions.

A fully coupled method for massively parallel simulation of hydraulically driven fractures in 3-dimensions: FULLY COUPLED PARALLEL SIMULATION OF HYDRAULIC FRACTURES IN 3-D

DOE Office of Scientific and Technical Information (OSTI.GOV)

Settgast, Randolph R.; Fu, Pengcheng; Walsh, Stuart D. C.

This study describes a fully coupled finite element/finite volume approach for simulating field-scale hydraulically driven fractures in three dimensions, using massively parallel computing platforms. The proposed method is capable of capturing realistic representations of local heterogeneities, layering and natural fracture networks in a reservoir. A detailed description of the numerical implementation is provided, along with numerical studies comparing the model with both analytical solutions and experimental results. The results demonstrate the effectiveness of the proposed method for modeling large-scale problems involving hydraulically driven fractures in three dimensions.

Numerical study of anomalous dynamic scaling behaviour of (1+1)-dimensional Das Sarma-Tamborenea model

NASA Astrophysics Data System (ADS)

Xun, Zhi-Peng; Tang, Gang; Han, Kui; Hao, Da-Peng; Xia, Hui; Zhou, Wei; Yang, Xi-Quan; Wen, Rong-Ji; Chen, Yu-Ling

2010-07-01

In order to discuss the finite-size effect and the anomalous dynamic scaling behaviour of Das Sarma-Tamborenea growth model, the (1+1)-dimensional Das Sarma-Tamborenea model is simulated on a large length scale by using the kinetic Monte-Carlo method. In the simulation, noise reduction technique is used in order to eliminate the crossover effect. Our results show that due to the existence of the finite-size effect, the effective global roughness exponent of the (1+1)-dimensional Das Sarma-Tamborenea model systematically decreases with system size L increasing when L > 256. This finding proves the conjecture by Aarao Reis[Aarao Reis F D A 2004 Phys. Rev. E 70 031607]. In addition, our simulation results also show that the Das Sarma-Tamborenea model in 1+1 dimensions indeed exhibits intrinsic anomalous scaling behaviour.

Variational approach to probabilistic finite elements

NASA Technical Reports Server (NTRS)

Belytschko, T.; Liu, W. K.; Mani, A.; Besterfield, G.

1991-01-01

Probabilistic finite element methods (PFEM), synthesizing the power of finite element methods with second-moment techniques, are formulated for various classes of problems in structural and solid mechanics. Time-invariant random materials, geometric properties and loads are incorporated in terms of their fundamental statistics viz. second-moments. Analogous to the discretization of the displacement field in finite element methods, the random fields are also discretized. Preserving the conceptual simplicity, the response moments are calculated with minimal computations. By incorporating certain computational techniques, these methods are shown to be capable of handling large systems with many sources of uncertainties. By construction, these methods are applicable when the scale of randomness is not very large and when the probabilistic density functions have decaying tails. The accuracy and efficiency of these methods, along with their limitations, are demonstrated by various applications. Results obtained are compared with those of Monte Carlo simulation and it is shown that good accuracy can be obtained for both linear and nonlinear problems. The methods are amenable to implementation in deterministic FEM based computer codes.

Variational approach to probabilistic finite elements

NASA Astrophysics Data System (ADS)

Belytschko, T.; Liu, W. K.; Mani, A.; Besterfield, G.

1991-08-01

Probabilistic finite element methods (PFEM), synthesizing the power of finite element methods with second-moment techniques, are formulated for various classes of problems in structural and solid mechanics. Time-invariant random materials, geometric properties and loads are incorporated in terms of their fundamental statistics viz. second-moments. Analogous to the discretization of the displacement field in finite element methods, the random fields are also discretized. Preserving the conceptual simplicity, the response moments are calculated with minimal computations. By incorporating certain computational techniques, these methods are shown to be capable of handling large systems with many sources of uncertainties. By construction, these methods are applicable when the scale of randomness is not very large and when the probabilistic density functions have decaying tails. The accuracy and efficiency of these methods, along with their limitations, are demonstrated by various applications. Results obtained are compared with those of Monte Carlo simulation and it is shown that good accuracy can be obtained for both linear and nonlinear problems. The methods are amenable to implementation in deterministic FEM based computer codes.

Variational approach to probabilistic finite elements

NASA Technical Reports Server (NTRS)

Belytschko, T.; Liu, W. K.; Mani, A.; Besterfield, G.

1987-01-01

Probabilistic finite element method (PFEM), synthesizing the power of finite element methods with second-moment techniques, are formulated for various classes of problems in structural and solid mechanics. Time-invariant random materials, geometric properties, and loads are incorporated in terms of their fundamental statistics viz. second-moments. Analogous to the discretization of the displacement field in finite element methods, the random fields are also discretized. Preserving the conceptual simplicity, the response moments are calculated with minimal computations. By incorporating certain computational techniques, these methods are shown to be capable of handling large systems with many sources of uncertainties. By construction, these methods are applicable when the scale of randomness is not very large and when the probabilistic density functions have decaying tails. The accuracy and efficiency of these methods, along with their limitations, are demonstrated by various applications. Results obtained are compared with those of Monte Carlo simulation and it is shown that good accuracy can be obtained for both linear and nonlinear problems. The methods are amenable to implementation in deterministic FEM based computer codes.

Gravity versus radiation models: on the importance of scale and heterogeneity in commuting flows.

PubMed

Masucci, A Paolo; Serras, Joan; Johansson, Anders; Batty, Michael

2013-08-01

We test the recently introduced radiation model against the gravity model for the system composed of England and Wales, both for commuting patterns and for public transportation flows. The analysis is performed both at macroscopic scales, i.e., at the national scale, and at microscopic scales, i.e., at the city level. It is shown that the thermodynamic limit assumption for the original radiation model significantly underestimates the commuting flows for large cities. We then generalize the radiation model, introducing the correct normalization factor for finite systems. We show that even if the gravity model has a better overall performance the parameter-free radiation model gives competitive results, especially for large scales.

On the statistical mechanics of the 2D stochastic Euler equation

NASA Astrophysics Data System (ADS)

Bouchet, Freddy; Laurie, Jason; Zaboronski, Oleg

2011-12-01

The dynamics of vortices and large scale structures is qualitatively very different in two dimensional flows compared to its three dimensional counterparts, due to the presence of multiple integrals of motion. These are believed to be responsible for a variety of phenomena observed in Euler flow such as the formation of large scale coherent structures, the existence of meta-stable states and random abrupt changes in the topology of the flow. In this paper we study stochastic dynamics of the finite dimensional approximation of the 2D Euler flow based on Lie algebra su(N) which preserves all integrals of motion. In particular, we exploit rich algebraic structure responsible for the existence of Euler's conservation laws to calculate the invariant measures and explore their properties and also study the approach to equilibrium. Unexpectedly, we find deep connections between equilibrium measures of finite dimensional su(N) truncations of the stochastic Euler equations and random matrix models. Our work can be regarded as a preparation for addressing the questions of large scale structures, meta-stability and the dynamics of random transitions between different flow topologies in stochastic 2D Euler flows.

Model Analysis of an Aircraft Fueslage Panel using Experimental and Finite-Element Techniques

NASA Technical Reports Server (NTRS)

Fleming, Gary A.; Buehrle, Ralph D.; Storaasli, Olaf L.

1998-01-01

The application of Electro-Optic Holography (EOH) for measuring the center bay vibration modes of an aircraft fuselage panel under forced excitation is presented. The requirement of free-free panel boundary conditions made the acquisition of quantitative EOH data challenging since large scale rigid body motions corrupted measurements of the high frequency vibrations of interest. Image processing routines designed to minimize effects of large scale motions were applied to successfully resurrect quantitative EOH vibrational amplitude measurements

Large-Scale First-Principles Molecular Dynamics Simulations with Electrostatic Embedding: Application to Acetylcholinesterase Catalysis

DOE PAGES

Fattebert, Jean-Luc; Lau, Edmond Y.; Bennion, Brian J.; ...

2015-10-22

Enzymes are complicated solvated systems that typically require many atoms to simulate their function with any degree of accuracy. We have recently developed numerical techniques for large scale First-Principles molecular dynamics simulations and applied them to study the enzymatic reaction catalyzed by acetylcholinesterase. We carried out Density functional theory calculations for a quantum mechanical (QM) sub- system consisting of 612 atoms with an O(N) complexity finite-difference approach. The QM sub-system is embedded inside an external potential field representing the electrostatic effect due to the environment. We obtained finite temperature sampling by First-Principles molecular dynamics for the acylation reaction of acetylcholinemore » catalyzed by acetylcholinesterase. Our calculations shows two energies barriers along the reaction coordinate for the enzyme catalyzed acylation of acetylcholine. In conclusion, the second barrier (8.5 kcal/mole) is rate-limiting for the acylation reaction and in good agreement with experiment.« less

A numerical formulation and algorithm for limit and shakedown analysis of large-scale elastoplastic structures

NASA Astrophysics Data System (ADS)

Peng, Heng; Liu, Yinghua; Chen, Haofeng

2018-05-01

In this paper, a novel direct method called the stress compensation method (SCM) is proposed for limit and shakedown analysis of large-scale elastoplastic structures. Without needing to solve the specific mathematical programming problem, the SCM is a two-level iterative procedure based on a sequence of linear elastic finite element solutions where the global stiffness matrix is decomposed only once. In the inner loop, the static admissible residual stress field for shakedown analysis is constructed. In the outer loop, a series of decreasing load multipliers are updated to approach to the shakedown limit multiplier by using an efficient and robust iteration control technique, where the static shakedown theorem is adopted. Three numerical examples up to about 140,000 finite element nodes confirm the applicability and efficiency of this method for two-dimensional and three-dimensional elastoplastic structures, with detailed discussions on the convergence and the accuracy of the proposed algorithm.

Finite Element Multi-scale Modeling of Chemical Segregation in Steel Solidification Taking into Account the Transport of Equiaxed Grains

NASA Astrophysics Data System (ADS)

Nguyen, Thi-Thuy-My; Gandin, Charles-André; Combeau, Hervé; Založnik, Miha; Bellet, Michel

2018-02-01

The transport of solid crystals in the liquid pool during solidification of large ingots is known to have a significant effect on their final grain structure and macrosegregation. Numerical modeling of the associated physics is challenging since complex and strong interactions between heat and mass transfer at the microscopic and macroscopic scales must be taken into account. The paper presents a finite element multi-scale solidification model coupling nucleation, growth, and solute diffusion at the microscopic scale, represented by a single unique grain, while also including transport of the liquid and solid phases at the macroscopic scale of the ingots. The numerical resolution is based on a splitting method which sequentially describes the evolution and interaction of quantities into a transport and a growth stage. This splitting method reduces the non-linear complexity of the set of equations and is, for the first time, implemented using the finite element method. This is possible due to the introduction of an artificial diffusion in all conservation equations solved by the finite element method. Simulations with and without grain transport are compared to demonstrate the impact of solid phase transport on the solidification process as well as the formation of macrosegregation in a binary alloy (Sn-5 wt pct Pb). The model is also applied to the solidification of the binary alloy Fe-0.36 wt pct C in a domain representative of a 3.3-ton steel ingot.

A finite element-boundary integral method for scattering and radiation by two- and three-dimensional structures

NASA Technical Reports Server (NTRS)

Jin, Jian-Ming; Volakis, John L.; Collins, Jeffery D.

1991-01-01

A review of a hybrid finite element-boundary integral formulation for scattering and radiation by two- and three-composite structures is presented. In contrast to other hybrid techniques involving the finite element method, the proposed one is in principle exac, and can be implemented using a low O(N) storage. This is of particular importance for large scale applications and is a characteristic of the boundary chosen to terminate the finite-element mesh, usually as close to the structure as possible. A certain class of these boundaries lead to convolutional boundary integrals which can be evaluated via the fast Fourier transform (FFT) without a need to generate a matrix; thus, retaining the O(N) storage requirement.

A statics-dynamics equivalence through the fluctuation–dissipation ratio provides a window into the spin-glass phase from nonequilibrium measurements

PubMed Central

Baity-Jesi, Marco; Calore, Enrico; Cruz, Andres; Fernandez, Luis Antonio; Gil-Narvión, José Miguel; Gordillo-Guerrero, Antonio; Iñiguez, David; Maiorano, Andrea; Marinari, Enzo; Martin-Mayor, Victor; Monforte-Garcia, Jorge; Muñoz Sudupe, Antonio; Navarro, Denis; Parisi, Giorgio; Perez-Gaviro, Sergio; Ricci-Tersenghi, Federico; Ruiz-Lorenzo, Juan Jesus; Schifano, Sebastiano Fabio; Tarancón, Alfonso; Tripiccione, Raffaele; Yllanes, David

2017-01-01

We have performed a very accurate computation of the nonequilibrium fluctuation–dissipation ratio for the 3D Edwards–Anderson Ising spin glass, by means of large-scale simulations on the special-purpose computers Janus and Janus II. This ratio (computed for finite times on very large, effectively infinite, systems) is compared with the equilibrium probability distribution of the spin overlap for finite sizes. Our main result is a quantitative statics-dynamics dictionary, which could allow the experimental exploration of important features of the spin-glass phase without requiring uncontrollable extrapolations to infinite times or system sizes. PMID:28174274

Application of Interface Technology in Nonlinear Analysis of a Stitched/RFI Composite Wing Stub Box

NASA Technical Reports Server (NTRS)

Wang, John T.; Ransom, Jonathan B.

1997-01-01

A recently developed interface technology was successfully employed in the geometrically nonlinear analysis of a full-scale stitched/RFI composite wing box loaded in bending. The technology allows mismatched finite element models to be joined in a variationally consistent manner and reduces the modeling complexity by eliminating transition meshing. In the analysis, local finite element models of nonlinearly deformed wide bays of the wing box are refined without the need for transition meshing to the surrounding coarse mesh. The COMET-AR finite element code, which has the interface technology capability, was used to perform the analyses. The COMET-AR analysis is compared to both a NASTRAN analysis and to experimental data. The interface technology solution is shown to be in good agreement with both. The viability of interface technology for coupled global/local analysis of large scale aircraft structures is demonstrated.

Optimal variable-grid finite-difference modeling for porous media

NASA Astrophysics Data System (ADS)

Liu, Xinxin; Yin, Xingyao; Li, Haishan

2014-12-01

Numerical modeling of poroelastic waves by the finite-difference (FD) method is more expensive than that of acoustic or elastic waves. To improve the accuracy and computational efficiency of seismic modeling, variable-grid FD methods have been developed. In this paper, we derived optimal staggered-grid finite difference schemes with variable grid-spacing and time-step for seismic modeling in porous media. FD operators with small grid-spacing and time-step are adopted for low-velocity or small-scale geological bodies, while FD operators with big grid-spacing and time-step are adopted for high-velocity or large-scale regions. The dispersion relations of FD schemes were derived based on the plane wave theory, then the FD coefficients were obtained using the Taylor expansion. Dispersion analysis and modeling results demonstrated that the proposed method has higher accuracy with lower computational cost for poroelastic wave simulation in heterogeneous reservoirs.

ACCURATE CHEMICAL MASTER EQUATION SOLUTION USING MULTI-FINITE BUFFERS

PubMed Central

Cao, Youfang; Terebus, Anna; Liang, Jie

2016-01-01

The discrete chemical master equation (dCME) provides a fundamental framework for studying stochasticity in mesoscopic networks. Because of the multi-scale nature of many networks where reaction rates have large disparity, directly solving dCMEs is intractable due to the exploding size of the state space. It is important to truncate the state space effectively with quantified errors, so accurate solutions can be computed. It is also important to know if all major probabilistic peaks have been computed. Here we introduce the Accurate CME (ACME) algorithm for obtaining direct solutions to dCMEs. With multi-finite buffers for reducing the state space by O(n!), exact steady-state and time-evolving network probability landscapes can be computed. We further describe a theoretical framework of aggregating microstates into a smaller number of macrostates by decomposing a network into independent aggregated birth and death processes, and give an a priori method for rapidly determining steady-state truncation errors. The maximal sizes of the finite buffers for a given error tolerance can also be pre-computed without costly trial solutions of dCMEs. We show exactly computed probability landscapes of three multi-scale networks, namely, a 6-node toggle switch, 11-node phage-lambda epigenetic circuit, and 16-node MAPK cascade network, the latter two with no known solutions. We also show how probabilities of rare events can be computed from first-passage times, another class of unsolved problems challenging for simulation-based techniques due to large separations in time scales. Overall, the ACME method enables accurate and efficient solutions of the dCME for a large class of networks. PMID:27761104

Avalanches and scaling collapse in the large-N Kuramoto model

NASA Astrophysics Data System (ADS)

Coleman, J. Patrick; Dahmen, Karin A.; Weaver, Richard L.

2018-04-01

We study avalanches in the Kuramoto model, defined as excursions of the order parameter due to ephemeral episodes of synchronization. We present scaling collapses of the avalanche sizes, durations, heights, and temporal profiles, extracting scaling exponents, exponent relations, and scaling functions that are shown to be consistent with the scaling behavior of the power spectrum, a quantity independent of our particular definition of an avalanche. A comprehensive scaling picture of the noise in the subcritical finite-N Kuramoto model is developed, linking this undriven system to a larger class of driven avalanching systems.

A majorized Newton-CG augmented Lagrangian-based finite element method for 3D restoration of geological models

NASA Astrophysics Data System (ADS)

Tang, Peipei; Wang, Chengjing; Dai, Xiaoxia

2016-04-01

In this paper, we propose a majorized Newton-CG augmented Lagrangian-based finite element method for 3D elastic frictionless contact problems. In this scheme, we discretize the restoration problem via the finite element method and reformulate it to a constrained optimization problem. Then we apply the majorized Newton-CG augmented Lagrangian method to solve the optimization problem, which is very suitable for the ill-conditioned case. Numerical results demonstrate that the proposed method is a very efficient algorithm for various large-scale 3D restorations of geological models, especially for the restoration of geological models with complicated faults.

Implementation of structural response sensitivity calculations in a large-scale finite-element analysis system

NASA Technical Reports Server (NTRS)

Giles, G. L.; Rogers, J. L., Jr.

1982-01-01

The methodology used to implement structural sensitivity calculations into a major, general-purpose finite-element analysis system (SPAR) is described. This implementation includes a generalized method for specifying element cross-sectional dimensions as design variables that can be used in analytically calculating derivatives of output quantities from static stress, vibration, and buckling analyses for both membrane and bending elements. Limited sample results for static displacements and stresses are presented to indicate the advantages of analytically calculating response derivatives compared to finite difference methods. Continuing developments to implement these procedures into an enhanced version of SPAR are also discussed.

Extreme value statistics and finite-size scaling at the ecological extinction/laminar-turbulence transition

NASA Astrophysics Data System (ADS)

Shih, Hong-Yan; Goldenfeld, Nigel

Experiments on transitional turbulence in pipe flow seem to show that turbulence is a transient metastable state since the measured mean lifetime of turbulence puffs does not diverge asymptotically at a critical Reynolds number. Yet measurements reveal that the lifetime scales with Reynolds number in a super-exponential way reminiscent of extreme value statistics, and simulations and experiments in Couette and channel flow exhibit directed percolation type scaling phenomena near a well-defined transition. This universality class arises from the interplay between small-scale turbulence and a large-scale collective zonal flow, which exhibit predator-prey behavior. Why is asymptotically divergent behavior not observed? Using directed percolation and a stochastic individual level model of predator-prey dynamics related to transitional turbulence, we investigate the relation between extreme value statistics and power law critical behavior, and show that the paradox is resolved by carefully defining what is measured in the experiments. We theoretically derive the super-exponential scaling law, and using finite-size scaling, show how the same data can give both super-exponential behavior and power-law critical scaling.

Numerical Large Deviation Analysis of the Eigenstate Thermalization Hypothesis

NASA Astrophysics Data System (ADS)

Yoshizawa, Toru; Iyoda, Eiki; Sagawa, Takahiro

2018-05-01

A plausible mechanism of thermalization in isolated quantum systems is based on the strong version of the eigenstate thermalization hypothesis (ETH), which states that all the energy eigenstates in the microcanonical energy shell have thermal properties. We numerically investigate the ETH by focusing on the large deviation property, which directly evaluates the ratio of athermal energy eigenstates in the energy shell. As a consequence, we have systematically confirmed that the strong ETH is indeed true even for near-integrable systems. Furthermore, we found that the finite-size scaling of the ratio of athermal eigenstates is a double exponential for nonintegrable systems. Our result illuminates the universal behavior of quantum chaos, and suggests that a large deviation analysis would serve as a powerful method to investigate thermalization in the presence of the large finite-size effect.

Impact of large-scale tides on cosmological distortions via redshift-space power spectrum

NASA Astrophysics Data System (ADS)

Akitsu, Kazuyuki; Takada, Masahiro

2018-03-01

Although large-scale perturbations beyond a finite-volume survey region are not direct observables, these affect measurements of clustering statistics of small-scale (subsurvey) perturbations in large-scale structure, compared with the ensemble average, via the mode-coupling effect. In this paper we show that a large-scale tide induced by scalar perturbations causes apparent anisotropic distortions in the redshift-space power spectrum of galaxies in a way depending on an alignment between the tide, wave vector of small-scale modes and line-of-sight direction. Using the perturbation theory of structure formation, we derive a response function of the redshift-space power spectrum to large-scale tide. We then investigate the impact of large-scale tide on estimation of cosmological distances and the redshift-space distortion parameter via the measured redshift-space power spectrum for a hypothetical large-volume survey, based on the Fisher matrix formalism. To do this, we treat the large-scale tide as a signal, rather than an additional source of the statistical errors, and show that a degradation in the parameter is restored if we can employ the prior on the rms amplitude expected for the standard cold dark matter (CDM) model. We also discuss whether the large-scale tide can be constrained at an accuracy better than the CDM prediction, if the effects up to a larger wave number in the nonlinear regime can be included.

A high-order multiscale finite-element method for time-domain acoustic-wave modeling

NASA Astrophysics Data System (ADS)

Gao, Kai; Fu, Shubin; Chung, Eric T.

2018-05-01

Accurate and efficient wave equation modeling is vital for many applications in such as acoustics, electromagnetics, and seismology. However, solving the wave equation in large-scale and highly heterogeneous models is usually computationally expensive because the computational cost is directly proportional to the number of grids in the model. We develop a novel high-order multiscale finite-element method to reduce the computational cost of time-domain acoustic-wave equation numerical modeling by solving the wave equation on a coarse mesh based on the multiscale finite-element theory. In contrast to existing multiscale finite-element methods that use only first-order multiscale basis functions, our new method constructs high-order multiscale basis functions from local elliptic problems which are closely related to the Gauss-Lobatto-Legendre quadrature points in a coarse element. Essentially, these basis functions are not only determined by the order of Legendre polynomials, but also by local medium properties, and therefore can effectively convey the fine-scale information to the coarse-scale solution with high-order accuracy. Numerical tests show that our method can significantly reduce the computation time while maintain high accuracy for wave equation modeling in highly heterogeneous media by solving the corresponding discrete system only on the coarse mesh with the new high-order multiscale basis functions.

A high-order multiscale finite-element method for time-domain acoustic-wave modeling

DOE Office of Scientific and Technical Information (OSTI.GOV)

Gao, Kai; Fu, Shubin; Chung, Eric T.

Accurate and efficient wave equation modeling is vital for many applications in such as acoustics, electromagnetics, and seismology. However, solving the wave equation in large-scale and highly heterogeneous models is usually computationally expensive because the computational cost is directly proportional to the number of grids in the model. We develop a novel high-order multiscale finite-element method to reduce the computational cost of time-domain acoustic-wave equation numerical modeling by solving the wave equation on a coarse mesh based on the multiscale finite-element theory. In contrast to existing multiscale finite-element methods that use only first-order multiscale basis functions, our new method constructsmore » high-order multiscale basis functions from local elliptic problems which are closely related to the Gauss–Lobatto–Legendre quadrature points in a coarse element. Essentially, these basis functions are not only determined by the order of Legendre polynomials, but also by local medium properties, and therefore can effectively convey the fine-scale information to the coarse-scale solution with high-order accuracy. Numerical tests show that our method can significantly reduce the computation time while maintain high accuracy for wave equation modeling in highly heterogeneous media by solving the corresponding discrete system only on the coarse mesh with the new high-order multiscale basis functions.« less

A high-order multiscale finite-element method for time-domain acoustic-wave modeling

DOE PAGES

Gao, Kai; Fu, Shubin; Chung, Eric T.

2018-02-04

Accurate and efficient wave equation modeling is vital for many applications in such as acoustics, electromagnetics, and seismology. However, solving the wave equation in large-scale and highly heterogeneous models is usually computationally expensive because the computational cost is directly proportional to the number of grids in the model. We develop a novel high-order multiscale finite-element method to reduce the computational cost of time-domain acoustic-wave equation numerical modeling by solving the wave equation on a coarse mesh based on the multiscale finite-element theory. In contrast to existing multiscale finite-element methods that use only first-order multiscale basis functions, our new method constructsmore » high-order multiscale basis functions from local elliptic problems which are closely related to the Gauss–Lobatto–Legendre quadrature points in a coarse element. Essentially, these basis functions are not only determined by the order of Legendre polynomials, but also by local medium properties, and therefore can effectively convey the fine-scale information to the coarse-scale solution with high-order accuracy. Numerical tests show that our method can significantly reduce the computation time while maintain high accuracy for wave equation modeling in highly heterogeneous media by solving the corresponding discrete system only on the coarse mesh with the new high-order multiscale basis functions.« less

Novel numerical techniques for magma dynamics

NASA Astrophysics Data System (ADS)

Rhebergen, S.; Katz, R. F.; Wathen, A.; Alisic, L.; Rudge, J. F.; Wells, G.

2013-12-01

We discuss the development of finite element techniques and solvers for magma dynamics computations. These are implemented within the FEniCS framework. This approach allows for user-friendly, expressive, high-level code development, but also provides access to powerful, scalable numerical solvers and a large family of finite element discretisations. With the recent addition of dolfin-adjoint, FeniCS supports automated adjoint and tangent-linear models, enabling the rapid development of Generalised Stability Analysis. The ability to easily scale codes to three dimensions with large meshes, and/or to apply intricate adjoint calculations means that efficiency of the numerical algorithms is vital. We therefore describe our development and analysis of preconditioners designed specifically for finite element discretizations of equations governing magma dynamics. The preconditioners are based on Elman-Silvester-Wathen methods for the Stokes equation, and we extend these to flows with compaction. Our simulations are validated by comparison of results with laboratory experiments on partially molten aggregates.

A comparison of VLSI architecture of finite field multipliers using dual, normal or standard basis

NASA Technical Reports Server (NTRS)

Hsu, I. S.; Truong, T. K.; Shao, H. M.; Deutsch, L. J.; Reed, I. S.

1987-01-01

Three different finite field multipliers are presented: (1) a dual basis multiplier due to Berlekamp; (2) a Massy-Omura normal basis multiplier; and (3) the Scott-Tavares-Peppard standard basis multiplier. These algorithms are chosen because each has its own distinct features which apply most suitably in different areas. Finally, they are implemented on silicon chips with nitride metal oxide semiconductor technology so that the multiplier most desirable for very large scale integration implementations can readily be ascertained.

Finite element analysis of a micromechanical deformable mirror device

NASA Technical Reports Server (NTRS)

Sheerer, T. J.; Nelson, W. E.; Hornbeck, L. J.

1989-01-01

A monolithic spatial light modulator chip was developed consisting of a large number of micrometer-scale mirror cells which can be rotated through an angle by application of an electrostatic field. The field is generated by electronics integral to the chip. The chip has application in photoreceptor based non-impact printing technologies. Chips containing over 16000 cells were fabricated, and were tested to several billions of cycles. Finite Element Analysis (FEA) of the device was used to model both the electrical and mechanical characteristics.

Implementation of structural response sensitivity calculations in a large-scale finite-element analysis system

NASA Technical Reports Server (NTRS)

Giles, G. L.; Rogers, J. L., Jr.

1982-01-01

The implementation includes a generalized method for specifying element cross-sectional dimensions as design variables that can be used in analytically calculating derivatives of output quantities from static stress, vibration, and buckling analyses for both membrane and bending elements. Limited sample results for static displacements and stresses are presented to indicate the advantages of analytically calclating response derivatives compared to finite difference methods. Continuing developments to implement these procedures into an enhanced version of the system are also discussed.

Nanowire nanocomputer as a finite-state machine.

PubMed

Yao, Jun; Yan, Hao; Das, Shamik; Klemic, James F; Ellenbogen, James C; Lieber, Charles M

2014-02-18

Implementation of complex computer circuits assembled from the bottom up and integrated on the nanometer scale has long been a goal of electronics research. It requires a design and fabrication strategy that can address individual nanometer-scale electronic devices, while enabling large-scale assembly of those devices into highly organized, integrated computational circuits. We describe how such a strategy has led to the design, construction, and demonstration of a nanoelectronic finite-state machine. The system was fabricated using a design-oriented approach enabled by a deterministic, bottom-up assembly process that does not require individual nanowire registration. This methodology allowed construction of the nanoelectronic finite-state machine through modular design using a multitile architecture. Each tile/module consists of two interconnected crossbar nanowire arrays, with each cross-point consisting of a programmable nanowire transistor node. The nanoelectronic finite-state machine integrates 180 programmable nanowire transistor nodes in three tiles or six total crossbar arrays, and incorporates both sequential and arithmetic logic, with extensive intertile and intratile communication that exhibits rigorous input/output matching. Our system realizes the complete 2-bit logic flow and clocked control over state registration that are required for a finite-state machine or computer. The programmable multitile circuit was also reprogrammed to a functionally distinct 2-bit full adder with 32-set matched and complete logic output. These steps forward and the ability of our unique design-oriented deterministic methodology to yield more extensive multitile systems suggest that proposed general-purpose nanocomputers can be realized in the near future.

Nanowire nanocomputer as a finite-state machine

PubMed Central

Yao, Jun; Yan, Hao; Das, Shamik; Klemic, James F.; Ellenbogen, James C.; Lieber, Charles M.

2014-01-01

Implementation of complex computer circuits assembled from the bottom up and integrated on the nanometer scale has long been a goal of electronics research. It requires a design and fabrication strategy that can address individual nanometer-scale electronic devices, while enabling large-scale assembly of those devices into highly organized, integrated computational circuits. We describe how such a strategy has led to the design, construction, and demonstration of a nanoelectronic finite-state machine. The system was fabricated using a design-oriented approach enabled by a deterministic, bottom–up assembly process that does not require individual nanowire registration. This methodology allowed construction of the nanoelectronic finite-state machine through modular design using a multitile architecture. Each tile/module consists of two interconnected crossbar nanowire arrays, with each cross-point consisting of a programmable nanowire transistor node. The nanoelectronic finite-state machine integrates 180 programmable nanowire transistor nodes in three tiles or six total crossbar arrays, and incorporates both sequential and arithmetic logic, with extensive intertile and intratile communication that exhibits rigorous input/output matching. Our system realizes the complete 2-bit logic flow and clocked control over state registration that are required for a finite-state machine or computer. The programmable multitile circuit was also reprogrammed to a functionally distinct 2-bit full adder with 32-set matched and complete logic output. These steps forward and the ability of our unique design-oriented deterministic methodology to yield more extensive multitile systems suggest that proposed general-purpose nanocomputers can be realized in the near future. PMID:24469812

Parallel algorithm for multiscale atomistic/continuum simulations using LAMMPS

NASA Astrophysics Data System (ADS)

Pavia, F.; Curtin, W. A.

2015-07-01

Deformation and fracture processes in engineering materials often require simultaneous descriptions over a range of length and time scales, with each scale using a different computational technique. Here we present a high-performance parallel 3D computing framework for executing large multiscale studies that couple an atomic domain, modeled using molecular dynamics and a continuum domain, modeled using explicit finite elements. We use the robust Coupled Atomistic/Discrete-Dislocation (CADD) displacement-coupling method, but without the transfer of dislocations between atoms and continuum. The main purpose of the work is to provide a multiscale implementation within an existing large-scale parallel molecular dynamics code (LAMMPS) that enables use of all the tools associated with this popular open-source code, while extending CADD-type coupling to 3D. Validation of the implementation includes the demonstration of (i) stability in finite-temperature dynamics using Langevin dynamics, (ii) elimination of wave reflections due to large dynamic events occurring in the MD region and (iii) the absence of spurious forces acting on dislocations due to the MD/FE coupling, for dislocations further than 10 Å from the coupling boundary. A first non-trivial example application of dislocation glide and bowing around obstacles is shown, for dislocation lengths of ∼50 nm using fewer than 1 000 000 atoms but reproducing results of extremely large atomistic simulations at much lower computational cost.

Analysis of Discrete-Source Damage Progression in a Tensile Stiffened Composite Panel

NASA Technical Reports Server (NTRS)

Wang, John T.; Lotts, Christine G.; Sleight, David W.

1999-01-01

This paper demonstrates the progressive failure analysis capability in NASA Langley s COMET-AR finite element analysis code on a large-scale built-up composite structure. A large-scale five stringer composite panel with a 7-in. long discrete source damage was analyzed from initial loading to final failure including the geometric and material nonlinearities. Predictions using different mesh sizes, different saw cut modeling approaches, and different failure criteria were performed and assessed. All failure predictions have a reasonably good correlation with the test result.

Large scale phononic metamaterials for seismic isolation

DOE Office of Scientific and Technical Information (OSTI.GOV)

Aravantinos-Zafiris, N.; Sigalas, M. M.

In this work, we numerically examine structures that could be characterized as large scale phononic metamaterials. These novel structures could have band gaps in the frequency spectrum of seismic waves when their dimensions are chosen appropriately, thus raising the belief that they could be serious candidates for seismic isolation structures. Different and easy to fabricate structures were examined made from construction materials such as concrete and steel. The well-known finite difference time domain method is used in our calculations in order to calculate the band structures of the proposed metamaterials.

Evaluation of the scale dependent dynamic SGS model in the open source code caffa3d.MBRi in wall-bounded flows

NASA Astrophysics Data System (ADS)

Draper, Martin; Usera, Gabriel

2015-04-01

The Scale Dependent Dynamic Model (SDDM) has been widely validated in large-eddy simulations using pseudo-spectral codes [1][2][3]. The scale dependency, particularly the potential law, has been proved also in a priori studies [4][5]. To the authors' knowledge there have been only few attempts to use the SDDM in finite difference (FD) and finite volume (FV) codes [6][7], finding some improvements with the dynamic procedures (scale independent or scale dependent approach), but not showing the behavior of the scale-dependence parameter when using the SDDM. The aim of the present paper is to evaluate the SDDM in the open source code caffa3d.MBRi, an updated version of the code presented in [8]. caffa3d.MBRi is a FV code, second-order accurate, parallelized with MPI, in which the domain is divided in unstructured blocks of structured grids. To accomplish this, 2 cases are considered: flow between flat plates and flow over a rough surface with the presence of a model wind turbine, taking for this case the experimental data presented in [9]. In both cases the standard Smagorinsky Model (SM), the Scale Independent Dynamic Model (SIDM) and the SDDM are tested. As presented in [6][7] slight improvements are obtained with the SDDM. Nevertheless, the behavior of the scale-dependence parameter supports the generalization of the dynamic procedure proposed in the SDDM, particularly taking into account that no explicit filter is used (the implicit filter is unknown). [1] F. Porté-Agel, C. Meneveau, M.B. Parlange. "A scale-dependent dynamic model for large-eddy simulation: application to a neutral atmospheric boundary layer". Journal of Fluid Mechanics, 2000, 415, 261-284. [2] E. Bou-Zeid, C. Meneveau, M. Parlante. "A scale-dependent Lagrangian dynamic model for large eddy simulation of complex turbulent flows". Physics of Fluids, 2005, 17, 025105 (18p). [3] R. Stoll, F. Porté-Agel. "Dynamic subgrid-scale models for momentum and scalar fluxes in large-eddy simulations of neutrally stratified atmospheric boundary layers over heterogeneous terrain". Water Resources Research, 2006, 42, WO1409 (18 p). [4] J. Keissl, M. Parlange, C. Meneveau. "Field experimental study of dynamic Smagorinsky models in the atmospheric surface layer". Journal of the Atmospheric Science, 2004, 61, 2296-2307. [5] E. Bou-Zeid, N. Vercauteren, M.B. Parlange, C. Meneveau. "Scale dependence of subgrid-scale model coefficients: An a priori study". Physics of Fluids, 2008, 20, 115106. [6] G. Kirkil, J. Mirocha, E. Bou-Zeid, F.K. Chow, B. Kosovic, "Implementation and evaluation of dynamic subfilter - scale stress models for large - eddy simulation using WRF". Monthly Weather Review, 2012, 140, 266-284. [7] S. Radhakrishnan, U. Piomelli. "Large-eddy simulation of oscillating boundary layers: model comparison and validation". Journal of Geophysical Research, 2008, 113, C02022. [8] G. Usera, A. Vernet, J.A. Ferré. "A parallel block-structured finite volume method for flows in complex geometry with sliding interfaces". Flow, Turbulence and Combustion, 2008, 81, 471-495. [9] Y-T. Wu, F. Porté-Agel. "Large-eddy simulation of wind-turbine wakes: evaluation of turbine parametrisations". BoundaryLayerMeteorology, 2011, 138, 345-366.

Large-scale computation of incompressible viscous flow by least-squares finite element method

NASA Technical Reports Server (NTRS)

Jiang, Bo-Nan; Lin, T. L.; Povinelli, Louis A.

1993-01-01

The least-squares finite element method (LSFEM) based on the velocity-pressure-vorticity formulation is applied to large-scale/three-dimensional steady incompressible Navier-Stokes problems. This method can accommodate equal-order interpolations and results in symmetric, positive definite algebraic system which can be solved effectively by simple iterative methods. The first-order velocity-Bernoulli function-vorticity formulation for incompressible viscous flows is also tested. For three-dimensional cases, an additional compatibility equation, i.e., the divergence of the vorticity vector should be zero, is included to make the first-order system elliptic. The simple substitution of the Newton's method is employed to linearize the partial differential equations, the LSFEM is used to obtain discretized equations, and the system of algebraic equations is solved using the Jacobi preconditioned conjugate gradient method which avoids formation of either element or global matrices (matrix-free) to achieve high efficiency. To show the validity of this scheme for large-scale computation, we give numerical results for 2D driven cavity problem at Re = 10000 with 408 x 400 bilinear elements. The flow in a 3D cavity is calculated at Re = 100, 400, and 1,000 with 50 x 50 x 50 trilinear elements. The Taylor-Goertler-like vortices are observed for Re = 1,000.

Probabilistic finite elements

NASA Technical Reports Server (NTRS)

Belytschko, Ted; Wing, Kam Liu

1987-01-01

In the Probabilistic Finite Element Method (PFEM), finite element methods have been efficiently combined with second-order perturbation techniques to provide an effective method for informing the designer of the range of response which is likely in a given problem. The designer must provide as input the statistical character of the input variables, such as yield strength, load magnitude, and Young's modulus, by specifying their mean values and their variances. The output then consists of the mean response and the variance in the response. Thus the designer is given a much broader picture of the predicted performance than with simply a single response curve. These methods are applicable to a wide class of problems, provided that the scale of randomness is not too large and the probabilistic density functions possess decaying tails. By incorporating the computational techniques we have developed in the past 3 years for efficiency, the probabilistic finite element methods are capable of handling large systems with many sources of uncertainties. Sample results for an elastic-plastic ten-bar structure and an elastic-plastic plane continuum with a circular hole subject to cyclic loadings with the yield stress on the random field are given.

Coupled Finite Volume and Finite Element Method Analysis of a Complex Large-Span Roof Structure

NASA Astrophysics Data System (ADS)

Szafran, J.; Juszczyk, K.; Kamiński, M.

2017-12-01

The main goal of this paper is to present coupled Computational Fluid Dynamics and structural analysis for the precise determination of wind impact on internal forces and deformations of structural elements of a longspan roof structure. The Finite Volume Method (FVM) serves for a solution of the fluid flow problem to model the air flow around the structure, whose results are applied in turn as the boundary tractions in the Finite Element Method problem structural solution for the linear elastostatics with small deformations. The first part is carried out with the use of ANSYS 15.0 computer system, whereas the FEM system Robot supports stress analysis in particular roof members. A comparison of the wind pressure distribution throughout the roof surface shows some differences with respect to that available in the engineering designing codes like Eurocode, which deserves separate further numerical studies. Coupling of these two separate numerical techniques appears to be promising in view of future computational models of stochastic nature in large scale structural systems due to the stochastic perturbation method.

REVIEWS OF TOPICAL PROBLEMS: Generation of large-scale eddies and zonal winds in planetary atmospheres

NASA Astrophysics Data System (ADS)

Onishchenko, O. G.; Pokhotelov, O. A.; Astafieva, N. M.

2008-06-01

The review deals with a theoretical description of the generation of zonal winds and vortices in a turbulent barotropic atmosphere. These large-scale structures largely determine the dynamics and transport processes in planetary atmospheres. The role of nonlinear effects on the formation of mesoscale vortical structures (cyclones and anticyclones) is examined. A new mechanism for zonal wind generation in planetary atmospheres is discussed. It is based on the parametric generation of convective cells by finite-amplitude Rossby waves. Weakly turbulent spectra of Rossby waves are considered. The theoretical results are compared to the results of satellite microwave monitoring of the Earth's atmosphere.

Assignment of boundary conditions in embedded ground water flow models

USGS Publications Warehouse

Leake, S.A.

1998-01-01

Many small-scale ground water models are too small to incorporate distant aquifer boundaries. If a larger-scale model exists for the area of interest, flow and head values can be specified for boundaries in the smaller-scale model using values from the larger-scale model. Flow components along rows and columns of a large-scale block-centered finite-difference model can be interpolated to compute horizontal flow across any segment of a perimeter of a small-scale model. Head at cell centers of the larger-scale model can be interpolated to compute head at points on a model perimeter. Simple linear interpolation is proposed for horizontal interpolation of horizontal-flow components. Bilinear interpolation is proposed for horizontal interpolation of head values. The methods of interpolation provided satisfactory boundary conditions in tests using models of hypothetical aquifers.Many small-scale ground water models are too small to incorporate distant aquifer boundaries. If a larger-scale model exists for the area of interest, flow and head values can be specified for boundaries in the smaller-scale model using values from the larger-scale model. Flow components along rows and columns of a large-scale block-centered finite-difference model can be interpolated to compute horizontal flow across any segment of a perimeter of a small-scale model. Head at cell centers of the larger.scale model can be interpolated to compute head at points on a model perimeter. Simple linear interpolation is proposed for horizontal interpolation of horizontal-flow components. Bilinear interpolation is proposed for horizontal interpolation of head values. The methods of interpolation provided satisfactory boundary conditions in tests using models of hypothetical aquifers.

A blended continuous–discontinuous finite element method for solving the multi-fluid plasma model

DOE Office of Scientific and Technical Information (OSTI.GOV)

Sousa, E.M., E-mail: sousae@uw.edu; Shumlak, U., E-mail: shumlak@uw.edu

The multi-fluid plasma model represents electrons, multiple ion species, and multiple neutral species as separate fluids that interact through short-range collisions and long-range electromagnetic fields. The model spans a large range of temporal and spatial scales, which renders the model stiff and presents numerical challenges. To address the large range of timescales, a blended continuous and discontinuous Galerkin method is proposed, where the massive ion and neutral species are modeled using an explicit discontinuous Galerkin method while the electrons and electromagnetic fields are modeled using an implicit continuous Galerkin method. This approach is able to capture large-gradient ion and neutralmore » physics like shock formation, while resolving high-frequency electron dynamics in a computationally efficient manner. The details of the Blended Finite Element Method (BFEM) are presented. The numerical method is benchmarked for accuracy and tested using two-fluid one-dimensional soliton problem and electromagnetic shock problem. The results are compared to conventional finite volume and finite element methods, and demonstrate that the BFEM is particularly effective in resolving physics in stiff problems involving realistic physical parameters, including realistic electron mass and speed of light. The benefit is illustrated by computing a three-fluid plasma application that demonstrates species separation in multi-component plasmas.« less

Directional Convexity and Finite Optimality Conditions.

DTIC Science & Technology

1984-03-01

system, Necessary Conditions for optimality. Work Unit Number 5 (Optimization and Large Scale Systems) *Istituto di Matematica Applicata, Universita...that R(T) is convex would then imply x(u,T) e int R(T). Cletituto di Matematica Applicata, Universita di Padova, 35100 ITALY. Sponsored by the United

Evaluating Mixture Modeling for Clustering: Recommendations and Cautions

ERIC Educational Resources Information Center

Steinley, Douglas; Brusco, Michael J.

2011-01-01

This article provides a large-scale investigation into several of the properties of mixture-model clustering techniques (also referred to as latent class cluster analysis, latent profile analysis, model-based clustering, probabilistic clustering, Bayesian classification, unsupervised learning, and finite mixture models; see Vermunt & Magdison,…

Heating and Large Scale Dynamics of the Solar Corona

NASA Technical Reports Server (NTRS)

Schnack, Dalton D.

2000-01-01

The effort was concentrated in the areas: coronal heating mechanism, unstructured adaptive grid algorithms, numerical modeling of magnetic reconnection in the MRX experiment: effect of toroidal magnetic field and finite pressure, effect of OHMIC heating and vertical magnetic field, effect of dynamic MESH adaption.

Finite element analysis and genetic algorithm optimization design for the actuator placement on a large adaptive structure

NASA Astrophysics Data System (ADS)

Sheng, Lizeng

The dissertation focuses on one of the major research needs in the area of adaptive/intelligent/smart structures, the development and application of finite element analysis and genetic algorithms for optimal design of large-scale adaptive structures. We first review some basic concepts in finite element method and genetic algorithms, along with the research on smart structures. Then we propose a solution methodology for solving a critical problem in the design of a next generation of large-scale adaptive structures---optimal placements of a large number of actuators to control thermal deformations. After briefly reviewing the three most frequently used general approaches to derive a finite element formulation, the dissertation presents techniques associated with general shell finite element analysis using flat triangular laminated composite elements. The element used here has three nodes and eighteen degrees of freedom and is obtained by combining a triangular membrane element and a triangular plate bending element. The element includes the coupling effect between membrane deformation and bending deformation. The membrane element is derived from the linear strain triangular element using Cook's transformation. The discrete Kirchhoff triangular (DKT) element is used as the plate bending element. For completeness, a complete derivation of the DKT is presented. Geometrically nonlinear finite element formulation is derived for the analysis of adaptive structures under the combined thermal and electrical loads. Next, we solve the optimization problems of placing a large number of piezoelectric actuators to control thermal distortions in a large mirror in the presence of four different thermal loads. We then extend this to a multi-objective optimization problem of determining only one set of piezoelectric actuator locations that can be used to control the deformation in the same mirror under the action of any one of the four thermal loads. A series of genetic algorithms, GA Version 1, 2 and 3, were developed to find the optimal locations of piezoelectric actuators from the order of 1021 ˜ 1056 candidate placements. Introducing a variable population approach, we improve the flexibility of selection operation in genetic algorithms. Incorporating mutation and hill climbing into micro-genetic algorithms, we are able to develop a more efficient genetic algorithm. Through extensive numerical experiments, we find that the design search space for the optimal placements of a large number of actuators is highly multi-modal and that the most distinct nature of genetic algorithms is their robustness. They give results that are random but with only a slight variability. The genetic algorithms can be used to get adequate solution using a limited number of evaluations. To get the highest quality solution, multiple runs including different random seed generators are necessary. The investigation time can be significantly reduced using a very coarse grain parallel computing. Overall, the methodology of using finite element analysis and genetic algorithm optimization provides a robust solution approach for the challenging problem of optimal placements of a large number of actuators in the design of next generation of adaptive structures.

Global kinetic simulations of neoclassical toroidal viscosity in low-collisional perturbed tokamak plasmas

NASA Astrophysics Data System (ADS)

Matsuoka, Seikichi; Idomura, Yasuhiro; Satake, Shinsuke

2017-10-01

The neoclassical toroidal viscosity (NTV) caused by a non-axisymmetric magnetic field perturbation is numerically studied using two global kinetic simulations with different numerical approaches. Both simulations reproduce similar collisionality ( νb*) dependencies over wide νb * ranges. It is demonstrated that resonant structures in the velocity space predicted by the conventional superbanana-plateau theory exist in the small banana width limit, while the resonances diminish when the banana width becomes large. It is also found that fine scale structures are generated in the velocity space as νb* decreases in the large banana width simulations, leading to the νb* -dependency of the NTV. From the analyses of the particle orbit, it is found that the finite k∥ mode structure along the bounce motion appears owing to the finite orbit width, and it suffers from bounce phase mixing, suggesting the generation of the fine scale structures by the similar mechanism as the parallel phase mixing of passing particles.

Vibration and flutter characteristics of the SR7L large-scale propfan

NASA Technical Reports Server (NTRS)

August, Richard; Kaza, Krishna Rao V.

1988-01-01

An investigation of the vibration characteristics and aeroelastic stability of the SR7L Large-Scale Advanced Propfan was performed using a finite element blade model and an improved aeroelasticity code. Analyses were conducted for different blade pitch angles, blade support conditions, number of blades, rotational speeds, and freestream Mach numbers. A finite element model of the blade was used to determine the blade's vibration behavior and sensitivity to support stiffness. The calculated frequencies and mode shape obtained with this model agreed well with the published experimental data. A computer code recently developed at NASA Lewis Research Center and based on three-dimensional, unsteady, lifting surface aerodynamic theory was used for the aeroelastic analysis to examine the blade's stability at a cruise condition of Mach 0.8 at 1700 rpm. The results showed that the blade is stable for that operating point. However, a flutter condition was predicted if the cruise Mach number was increased to 0.9.

A multilevel correction adaptive finite element method for Kohn-Sham equation

NASA Astrophysics Data System (ADS)

Hu, Guanghui; Xie, Hehu; Xu, Fei

2018-02-01

In this paper, an adaptive finite element method is proposed for solving Kohn-Sham equation with the multilevel correction technique. In the method, the Kohn-Sham equation is solved on a fixed and appropriately coarse mesh with the finite element method in which the finite element space is kept improving by solving the derived boundary value problems on a series of adaptively and successively refined meshes. A main feature of the method is that solving large scale Kohn-Sham system is avoided effectively, and solving the derived boundary value problems can be handled efficiently by classical methods such as the multigrid method. Hence, the significant acceleration can be obtained on solving Kohn-Sham equation with the proposed multilevel correction technique. The performance of the method is examined by a variety of numerical experiments.

Interface-Resolving Simulation of Collision Efficiency of Cloud Droplets

NASA Astrophysics Data System (ADS)

Wang, Lian-Ping; Peng, Cheng; Rosa, Bodgan; Onishi, Ryo

2017-11-01

Small-scale air turbulence could enhance the geometric collision rate of cloud droplets while large-scale air turbulence could augment the diffusional growth of cloud droplets. Air turbulence could also enhance the collision efficiency of cloud droplets. Accurate simulation of collision efficiency, however, requires capture of the multi-scale droplet-turbulence and droplet-droplet interactions, which has only been partially achieved in the recent past using the hybrid direct numerical simulation (HDNS) approach. % where Stokes disturbance flow is assumed. The HDNS approach has two major drawbacks: (1) the short-range droplet-droplet interaction is not treated rigorously; (2) the finite-Reynolds number correction to the collision efficiency is not included. In this talk, using two independent numerical methods, we will develop an interface-resolved simulation approach in which the disturbance flows are directly resolved numerically, combined with a rigorous lubrication correction model for near-field droplet-droplet interaction. This multi-scale approach is first used to study the effect of finite flow Reynolds numbers on the droplet collision efficiency in still air. Our simulation results show a significant finite-Re effect on collision efficiency when the droplets are of similar sizes. Preliminary results on integrating this approach in a turbulent flow laden with droplets will also be presented. This work is partially supported by the National Science Foundation.

StePS: Stereographically Projected Cosmological Simulations

NASA Astrophysics Data System (ADS)

Rácz, Gábor; Szapudi, István; Csabai, István; Dobos, László

2018-05-01

StePS (Stereographically Projected Cosmological Simulations) compactifies the infinite spatial extent of the Universe into a finite sphere with isotropic boundary conditions to simulate the evolution of the large-scale structure. This eliminates the need for periodic boundary conditions, which are a numerical convenience unsupported by observation and which modifies the law of force on large scales in an unrealistic fashion. StePS uses stereographic projection for space compactification and naive O(N2) force calculation; this arrives at a correlation function of the same quality more quickly than standard (tree or P3M) algorithms with similar spatial and mass resolution. The N2 force calculation is easy to adapt to modern graphics cards, hence StePS can function as a high-speed prediction tool for modern large-scale surveys.

Stochastic theory of large-scale enzyme-reaction networks: Finite copy number corrections to rate equation models

NASA Astrophysics Data System (ADS)

Thomas, Philipp; Straube, Arthur V.; Grima, Ramon

2010-11-01

Chemical reactions inside cells occur in compartment volumes in the range of atto- to femtoliters. Physiological concentrations realized in such small volumes imply low copy numbers of interacting molecules with the consequence of considerable fluctuations in the concentrations. In contrast, rate equation models are based on the implicit assumption of infinitely large numbers of interacting molecules, or equivalently, that reactions occur in infinite volumes at constant macroscopic concentrations. In this article we compute the finite-volume corrections (or equivalently the finite copy number corrections) to the solutions of the rate equations for chemical reaction networks composed of arbitrarily large numbers of enzyme-catalyzed reactions which are confined inside a small subcellular compartment. This is achieved by applying a mesoscopic version of the quasisteady-state assumption to the exact Fokker-Planck equation associated with the Poisson representation of the chemical master equation. The procedure yields impressively simple and compact expressions for the finite-volume corrections. We prove that the predictions of the rate equations will always underestimate the actual steady-state substrate concentrations for an enzyme-reaction network confined in a small volume. In particular we show that the finite-volume corrections increase with decreasing subcellular volume, decreasing Michaelis-Menten constants, and increasing enzyme saturation. The magnitude of the corrections depends sensitively on the topology of the network. The predictions of the theory are shown to be in excellent agreement with stochastic simulations for two types of networks typically associated with protein methylation and metabolism.

On the distribution of local dissipation scales in turbulent flows

NASA Astrophysics Data System (ADS)

May, Ian; Morshed, Khandakar; Venayagamoorthy, Karan; Dasi, Lakshmi

2014-11-01

Universality of dissipation scales in turbulence relies on self-similar scaling and large scale independence. We show that the probability density function of dissipation scales, Q (η) , is analytically defined by the two-point correlation function, and the Reynolds number (Re). We also present a new analytical form for the two-point correlation function for the dissipation scales through a generalized definition of a directional Taylor microscale. Comparison of Q (η) predicted within this framework and published DNS data shows excellent agreement. It is shown that for finite Re no single similarity law exists even for the case of homogeneous isotropic turbulence. Instead a family of scaling is presented, defined by Re and a dimensionless local inhomogeneity parameter based on the spatial gradient of the rms velocity. For moderate Re inhomogeneous flows, we note a strong directional dependence of Q (η) dictated by the principal Reynolds stresses. It is shown that the mode of the distribution Q (η) significantly shifts to sub-Kolmogorov scales along the inhomogeneous directions, as in wall bounded turbulence. This work extends the classical Kolmogorov's theory to finite Re homogeneous isotropic turbulence as well as the case of inhomogeneous anisotropic turbulence.

Many-body localization in disorder-free systems: The importance of finite-size constraints

DOE Office of Scientific and Technical Information (OSTI.GOV)

Papić, Z., E-mail: zpapic@perimeterinstitute.ca; Perimeter Institute for Theoretical Physics, Waterloo, ON N2L 2Y5; Stoudenmire, E. Miles

2015-11-15

Recently it has been suggested that many-body localization (MBL) can occur in translation-invariant systems, and candidate 1D models have been proposed. We find that such models, in contrast to MBL systems with quenched disorder, typically exhibit much more severe finite-size effects due to the presence of two or more vastly different energy scales. In a finite system, this can artificially split the density of states (DOS) into bands separated by large gaps. We argue for such models to faithfully represent the thermodynamic limit behavior, the ratio of relevant coupling must exceed a certain system-size depedent cutoff, chosen such that variousmore » bands in the DOS overlap one another. Setting the parameters this way to minimize finite-size effects, we study several translation-invariant MBL candidate models using exact diagonalization. Based on diagnostics including entanglement and local observables, we observe thermal (ergodic), rather than MBL-like behavior. Our results suggest that MBL in translation-invariant systems with two or more very different energy scales is less robust than perturbative arguments suggest, possibly pointing to the importance of non-perturbative effects which induce delocalization in the thermodynamic limit.« less

Sound production due to large-scale coherent structures

NASA Technical Reports Server (NTRS)

Gatski, T. B.

1979-01-01

The acoustic pressure fluctuations due to large-scale finite amplitude disturbances in a free turbulent shear flow are calculated. The flow is decomposed into three component scales; the mean motion, the large-scale wave-like disturbance, and the small-scale random turbulence. The effect of the large-scale structure on the flow is isolated by applying both a spatial and phase average on the governing differential equations and by initially taking the small-scale turbulence to be in energetic equilibrium with the mean flow. The subsequent temporal evolution of the flow is computed from global energetic rate equations for the different component scales. Lighthill's theory is then applied to the region with the flowfield as the source and an observer located outside the flowfield in a region of uniform velocity. Since the time history of all flow variables is known, a minimum of simplifying assumptions for the Lighthill stress tensor is required, including no far-field approximations. A phase average is used to isolate the pressure fluctuations due to the large-scale structure, and also to isolate the dynamic process responsible. Variation of mean square pressure with distance from the source is computed to determine the acoustic far-field location and decay rate, and, in addition, spectra at various acoustic field locations are computed and analyzed. Also included are the effects of varying the growth and decay of the large-scale disturbance on the sound produced.

Efimov effect for heteronuclear three-body systems at positive scattering length and finite temperature

DOE Office of Scientific and Technical Information (OSTI.GOV)

Emmons, Samuel B.; Kang, Daekyoung; Acharya, Bijaya

2017-09-08

Here, we study the recombination process of three atoms scattering into an atom and diatomic molecule in heteronuclear mixtures of ultracold atomic gases with large and positive interspecies scattering length at finite temperature. We calculate the temperature dependence of the three-body recombination rates by extracting universal scaling functions that parametrize the energy dependence of the scattering matrix. We compare our results to experimental data for the 40K– 87Rb mixture and make a prediction for 6Li– 87Rb. We find that contributions from higher partial wave channels significantly impact the total rate and, in systems with particularly large mass imbalance, can evenmore » obliterate the recombination minima associated with the Efimov effect.« less

Kuramoto model with uniformly spaced frequencies: Finite-N asymptotics of the locking threshold.

PubMed

Ottino-Löffler, Bertrand; Strogatz, Steven H

2016-06-01

We study phase locking in the Kuramoto model of coupled oscillators in the special case where the number of oscillators, N, is large but finite, and the oscillators' natural frequencies are evenly spaced on a given interval. In this case, stable phase-locked solutions are known to exist if and only if the frequency interval is narrower than a certain critical width, called the locking threshold. For infinite N, the exact value of the locking threshold was calculated 30 years ago; however, the leading corrections to it for finite N have remained unsolved analytically. Here we derive an asymptotic formula for the locking threshold when N≫1. The leading correction to the infinite-N result scales like either N^{-3/2} or N^{-1}, depending on whether the frequencies are evenly spaced according to a midpoint rule or an end-point rule. These scaling laws agree with numerical results obtained by Pazó [D. Pazó, Phys. Rev. E 72, 046211 (2005)PLEEE81539-375510.1103/PhysRevE.72.046211]. Moreover, our analysis yields the exact prefactors in the scaling laws, which also match the numerics.

Scale-Limited Lagrange Stability and Finite-Time Synchronization for Memristive Recurrent Neural Networks on Time Scales.

PubMed

Xiao, Qiang; Zeng, Zhigang

2017-10-01

The existed results of Lagrange stability and finite-time synchronization for memristive recurrent neural networks (MRNNs) are scale-free on time evolvement, and some restrictions appear naturally. In this paper, two novel scale-limited comparison principles are established by means of inequality techniques and induction principle on time scales. Then the results concerning Lagrange stability and global finite-time synchronization of MRNNs on time scales are obtained. Scaled-limited Lagrange stability criteria are derived, in detail, via nonsmooth analysis and theory of time scales. Moreover, novel criteria for achieving the global finite-time synchronization are acquired. In addition, the derived method can also be used to study global finite-time stabilization. The proposed results extend or improve the existed ones in the literatures. Two numerical examples are chosen to show the effectiveness of the obtained results.

Self-similar perturbations of a Friedmann universe

NASA Technical Reports Server (NTRS)

Carr, Bernard J.; Yahil, Amos

1990-01-01

The present analysis of spherically symmetric self-similar solutions to the Einstein equations gives attention to those solutions that are asymptotically k = 0 Friedmann at large z values, and possess finite but perturbed density at the origin. Such solutions represent nonlinear density fluctuations which grow at the same rate as the universe's particle horizon. The overdense solutions span only a narrow range of parameters, and resemble static isothermal gas spheres just within the sonic point; the underdense solutions may have arbitrarily low density at the origin while exhibiting a unique relationship between amplitude and scale. Their relevance to large-scale void formation is considered.

Large-scale deformed QRPA calculations of the gamma-ray strength function based on a Gogny force

NASA Astrophysics Data System (ADS)

Martini, M.; Goriely, S.; Hilaire, S.; Péru, S.; Minato, F.

2016-01-01

The dipole excitations of nuclei play an important role in nuclear astrophysics processes in connection with the photoabsorption and the radiative neutron capture that take place in stellar environment. We present here the results of a large-scale axially-symmetric deformed QRPA calculation of the γ-ray strength function based on the finite-range Gogny force. The newly determined γ-ray strength is compared with experimental photoabsorption data for spherical as well as deformed nuclei. Predictions of γ-ray strength functions and Maxwellian-averaged neutron capture rates for Sn isotopes are also discussed.

An experimental study of large-scale vortices over a blunt-faced flat plate in pulsating flow

NASA Astrophysics Data System (ADS)

Hwang, K. S.; Sung, H. J.; Hyun, J. M.

Laboratory measurements are made of flow over a blunt flat plate of finite thickness, which is placed in a pulsating free stream, U=Uo(1+Aocos 2πfpt). Low turbulence-intensity wind tunnel experiments are conducted in the ranges of Stp<=1.23 and Ao<=0.118 at ReH=560. Pulsation is generated by means of a woofer speaker. Variations of the time-mean reattachment length xR as functions of Stp and Ao are scrutinized by using the forward-time fraction and surface pressure distributions (Cp). The shedding frequency of large-scale vortices due to pulsation is measured. Flow visualizations depict the behavior of large-scale vortices. The results for non-pulsating flows (Ao=0) are consistent with the published data. In the lower range of Ao, as Stp increases, xR attains a minimum value at a particular pulsation frequency. For large Ao, the results show complicated behaviors of xR. For Stp>=0.80, changes in xR are insignificant as Ao increases. The shedding frequency of large-scale vortices is locked-in to the pulsation frequency. A vortex-pairing process takes place between two neighboring large-scale vortices in the separated shear layer.

Sunny Side Up in Science.

ERIC Educational Resources Information Center

LaHart, David, Ed.

Fossil fuels, upon which we now depend almost exclusively, are finite resources. Because the environmental problems inherent in large scale fossil fuel consumption are increasingly apparent, the reality of developing alternative energy sources must be faced. Solar energy is the obvious solution to the problem. It is a renewable, clean source that…

A finite element-boundary integral method for scattering and radiation by two- and three-dimensional structures

NASA Technical Reports Server (NTRS)

Jin, Jian-Ming; Volakis, John L.; Collins, Jeffery D.

1991-01-01

A review of a hybrid finite element-boundary integral formulation for scattering and radiation by two- and three-dimensional composite structures is presented. In contrast to other hybrid techniques involving the finite element method, the proposed one is in principle exact and can be implemented using a low O(N) storage. This is of particular importance for large scale applications and is a characteristic of the boundary chosen to terminate the finite element mesh, usually as close to the structure as possible. A certain class of these boundaries lead to convolutional boundary integrals which can be evaluated via the fast Fourier transform (FFT) without a need to generate a matrix; thus, retaining the O(N) storage requirement. The paper begins with a general description of the method. A number of two- and three-dimensional applications are then given, including numerical computations which demonstrate the method's accuracy, efficiency, and capability.

Engineering science and mechanics; Proceedings of the International Symposium, Tainan, Republic of China, December 29-31, 1981. Parts 1 & 2

NASA Astrophysics Data System (ADS)

Hsia, H.-M.; Chou, Y.-L.; Longman, R. W.

1983-07-01

The topics considered are related to measurements and controls in physical systems, the control of large scale and distributed parameter systems, chemical engineering systems, aerospace science and technology, thermodynamics and fluid mechanics, and computer applications. Subjects in structural dynamics are discussed, taking into account finite element approximations in transient analysis, buckling finite element analysis of flat plates, dynamic analysis of viscoelastic structures, the transient analysis of large frame structures by simple models, large amplitude vibration of an initially stressed thick plate, nonlinear aeroelasticity, a sensitivity analysis of a combined beam-spring-mass structure, and the optimal design and aeroelastic investigation of segmented windmill rotor blades. Attention is also given to dynamics and control of mechanical and civil engineering systems, composites, and topics in materials. For individual items see A83-44002 to A83-44061

Large-scale behaviour of local and entanglement entropy of the free Fermi gas at any temperature

NASA Astrophysics Data System (ADS)

Leschke, Hajo; Sobolev, Alexander V.; Spitzer, Wolfgang

2016-07-01

The leading asymptotic large-scale behaviour of the spatially bipartite entanglement entropy (EE) of the free Fermi gas infinitely extended in multidimensional Euclidean space at zero absolute temperature, T = 0, is by now well understood. Here, we present and discuss the first rigorous results for the corresponding EE of thermal equilibrium states at T> 0. The leading large-scale term of this thermal EE turns out to be twice the first-order finite-size correction to the infinite-volume thermal entropy (density). Not surprisingly, this correction is just the thermal entropy on the interface of the bipartition. However, it is given by a rather complicated integral derived from a semiclassical trace formula for a certain operator on the underlying one-particle Hilbert space. But in the zero-temperature limit T\\downarrow 0, the leading large-scale term of the thermal EE considerably simplifies and displays a {ln}(1/T)-singularity which one may identify with the known logarithmic enhancement at T = 0 of the so-called area-law scaling. birthday of the ideal Fermi gas.

The Programming Language Python In Earth System Simulations

NASA Astrophysics Data System (ADS)

Gross, L.; Imranullah, A.; Mora, P.; Saez, E.; Smillie, J.; Wang, C.

2004-12-01

Mathematical models in earth sciences base on the solution of systems of coupled, non-linear, time-dependent partial differential equations (PDEs). The spatial and time-scale vary from a planetary scale and million years for convection problems to 100km and 10 years for fault systems simulations. Various techniques are in use to deal with the time dependency (e.g. Crank-Nicholson), with the non-linearity (e.g. Newton-Raphson) and weakly coupled equations (e.g. non-linear Gauss-Seidel). Besides these high-level solution algorithms discretization methods (e.g. finite element method (FEM), boundary element method (BEM)) are used to deal with spatial derivatives. Typically, large-scale, three dimensional meshes are required to resolve geometrical complexity (e.g. in the case of fault systems) or features in the solution (e.g. in mantel convection simulations). The modelling environment escript allows the rapid implementation of new physics as required for the development of simulation codes in earth sciences. Its main object is to provide a programming language, where the user can define new models and rapidly develop high-level solution algorithms. The current implementation is linked with the finite element package finley as a PDE solver. However, the design is open and other discretization technologies such as finite differences and boundary element methods could be included. escript is implemented as an extension of the interactive programming environment python (see www.python.org). Key concepts introduced are Data objects, which are holding values on nodes or elements of the finite element mesh, and linearPDE objects, which are defining linear partial differential equations to be solved by the underlying discretization technology. In this paper we will show the basic concepts of escript and will show how escript is used to implement a simulation code for interacting fault systems. We will show some results of large-scale, parallel simulations on an SGI Altix system. Acknowledgements: Project work is supported by Australian Commonwealth Government through the Australian Computational Earth Systems Simulator Major National Research Facility, Queensland State Government Smart State Research Facility Fund, The University of Queensland and SGI.

Fluid-structure interaction in fast breeder reactors

NASA Astrophysics Data System (ADS)

Mitra, A. A.; Manik, D. N.; Chellapandi, P. A.

2004-05-01

A finite element model for the seismic analysis of a scaled down model of Fast breeder reactor (FBR) main vessel is proposed to be established. The reactor vessel, which is a large shell structure with a relatively thin wall, contains a large volume of sodium coolant. Therefore, the fluid structure interaction effects must be taken into account in the seismic design. As part of studying fluid-structure interaction, the fundamental frequency of vibration of a circular cylindrical shell partially filled with a liquid has been estimated using Rayleigh's method. The bulging and sloshing frequencies of the first four modes of the aforementioned system have been estimated using the Rayleigh-Ritz method. The finite element formulation of the axisymmetric fluid element with Fourier option (required due to seismic loading) is also presented.

A staggered-grid finite-difference scheme optimized in the time–space domain for modeling scalar-wave propagation in geophysical problems

DOE Office of Scientific and Technical Information (OSTI.GOV)

Tan, Sirui, E-mail: siruitan@hotmail.com; Huang, Lianjie, E-mail: ljh@lanl.gov

For modeling scalar-wave propagation in geophysical problems using finite-difference schemes, optimizing the coefficients of the finite-difference operators can reduce numerical dispersion. Most optimized finite-difference schemes for modeling seismic-wave propagation suppress only spatial but not temporal dispersion errors. We develop a novel optimized finite-difference scheme for numerical scalar-wave modeling to control dispersion errors not only in space but also in time. Our optimized scheme is based on a new stencil that contains a few more grid points than the standard stencil. We design an objective function for minimizing relative errors of phase velocities of waves propagating in all directions within amore » given range of wavenumbers. Dispersion analysis and numerical examples demonstrate that our optimized finite-difference scheme is computationally up to 2.5 times faster than the optimized schemes using the standard stencil to achieve the similar modeling accuracy for a given 2D or 3D problem. Compared with the high-order finite-difference scheme using the same new stencil, our optimized scheme reduces 50 percent of the computational cost to achieve the similar modeling accuracy. This new optimized finite-difference scheme is particularly useful for large-scale 3D scalar-wave modeling and inversion.« less

Rapid magnetic reconnection caused by finite amplitude fluctuations

NASA Technical Reports Server (NTRS)

Matthaeus, W. H.; Lamkin, S. L.

1985-01-01

The nonlinear dynamics of the magnetohydrodynamic sheet pinch have been investigated as an unforced initial value problem for large scale Reynolds numbers up to 1000. Reconnection is triggered by adding to the sheet pinch a small but finite level of broadband random perturbations. Effects of turbulence in the solutions include the production of reconnected magnetic islands at rates that are insensitive to resistivity at early times. This is explained by noting that electric field fluctuations near the X point produce irregularities in the vector potential, sometimes taking the form of 'magnetic bubbles', which allow rapid change of field topology.

Simulation of all-scale atmospheric dynamics on unstructured meshes

NASA Astrophysics Data System (ADS)

Smolarkiewicz, Piotr K.; Szmelter, Joanna; Xiao, Feng

2016-10-01

The advance of massively parallel computing in the nineteen nineties and beyond encouraged finer grid intervals in numerical weather-prediction models. This has improved resolution of weather systems and enhanced the accuracy of forecasts, while setting the trend for development of unified all-scale atmospheric models. This paper first outlines the historical background to a wide range of numerical methods advanced in the process. Next, the trend is illustrated with a technical review of a versatile nonoscillatory forward-in-time finite-volume (NFTFV) approach, proven effective in simulations of atmospheric flows from small-scale dynamics to global circulations and climate. The outlined approach exploits the synergy of two specific ingredients: the MPDATA methods for the simulation of fluid flows based on the sign-preserving properties of upstream differencing; and the flexible finite-volume median-dual unstructured-mesh discretisation of the spatial differential operators comprising PDEs of atmospheric dynamics. The paper consolidates the concepts leading to a family of generalised nonhydrostatic NFTFV flow solvers that include soundproof PDEs of incompressible Boussinesq, anelastic and pseudo-incompressible systems, common in large-eddy simulation of small- and meso-scale dynamics, as well as all-scale compressible Euler equations. Such a framework naturally extends predictive skills of large-eddy simulation to the global atmosphere, providing a bottom-up alternative to the reverse approach pursued in the weather-prediction models. Theoretical considerations are substantiated by calculations attesting to the versatility and efficacy of the NFTFV approach. Some prospective developments are also discussed.

A CMOS VLSI IC for Real-Time Opto-Electronic Two-Dimensional Histogram Generation

DTIC Science & Technology

1993-12-01

large scale integration) design; MAGIC ; CMOS; optics; image processing; 93 16. PRICE CODE 17. SECURITY CLASSIFICATION 18. SECURITY CLASSIFICATiON 19...1. Sun SPARCstation ............. .............. 6 2. Magic .................. ................... 6 a. Peg ................. .................. 7 b...38 v APPENDIX B. MAGIC CELL LAYOUTS .... ............ .. 39 APPENDIX C: SIMULATION DATA ....... ............. .. 56 A. FINITE STATE MACHINE

Computational investigation of large-scale vortex interaction with flexible bodies

NASA Astrophysics Data System (ADS)

Connell, Benjamin; Yue, Dick K. P.

2003-11-01

The interaction of large-scale vortices with flexible bodies is examined with particular interest paid to the energy and momentum budgets of the system. Finite difference direct numerical simulation of the Navier-Stokes equations on a moving curvilinear grid is coupled with a finite difference structural solver of both a linear membrane under tension and linear Euler-Bernoulli beam. The hydrodynamics and structural dynamics are solved simultaneously using an iterative procedure with the external structural forcing calculated from the hydrodynamics at the surface and the flow-field velocity boundary condition given by the structural motion. We focus on an investigation into the canonical problem of a vortex-dipole impinging on a flexible membrane. It is discovered that the structural properties of the membrane direct the interaction in terms of the flow evolution and the energy budget. Pressure gradients associated with resonant membrane response are shown to sustain the oscillatory motion of the vortex pair. Understanding how the key mechanisms in vortex-body interactions are guided by the structural properties of the body is a prerequisite to exploiting these mechanisms.

Fast propagation of electromagnetic fields through graded-index media.

PubMed

Zhong, Huiying; Zhang, Site; Shi, Rui; Hellmann, Christian; Wyrowski, Frank

2018-04-01

Graded-index (GRIN) media are widely used for modeling different situations: some components are designed considering GRIN modulation, e.g., multi-mode fibers, optical lenses, or acousto-optical modulators; on the other hand, there are other components where the refractive-index variation is undesired due to, e.g., stress or heating; and finally, some effects in nature are characterized by a GRIN variation, like turbulence in air or biological tissues. Modeling electromagnetic fields propagating in GRIN media is then of high importance for optical simulation and design. Though ray tracing can be used to evaluate some basic effects in GRIN media, the field properties are not considered and evaluated. The general physical optics techniques, like finite element method or finite difference time domain, can be used to calculate fields in GRIN media, but they need great numerical effort or may even be impractical for large-scale components. Therefore, there still exists a demand for a fast physical optics model of field propagation through GRIN media on a large scale, which will be explored in this paper.

Finite-size scaling and integer-spin Heisenberg chains

NASA Astrophysics Data System (ADS)

Bonner, Jill C.; Müller, Gerhard

1984-03-01

Finite-size scaling (phenomenological renormalization) techniques are trusted and widely applied in low-dimensional magnetism and, particularly, in lattice gauge field theory. Recently, investigations have begun which subject the theoretical basis to systematic and intensive scrutiny to determine the validity of finite-size scaling in a variety of situations. The 2D ANNNI model is an example of a situation where finite-size scaling methods encounter difficulty, related to the occurrence of a disorder line (one-dimensional line). A second example concerns the behavior of the spin-1/2 antiferromagnetic XXZ model where the T=0 critical behavior is exactly known and features an essential singularity at the isotropic Heisenberg point. Standard finite-size scaling techniques do not convincingly reproduce the exact phase behavior and this is attributable to the essential singularity. The point is relevant in connection with a finite-size scaling analysis of a spin-one antiferromagnetic XXZ model, which claims to support a conjecture by Haldane that the T=0 phase behavior of integer-spin Heisenberg chains is significantly different from that of half-integer-spin Heisenberg chains.

A mesoscopic bridging scale method for fluids and coupling dissipative particle dynamics with continuum finite element method

PubMed Central

Kojic, Milos; Filipovic, Nenad; Tsuda, Akira

2012-01-01

A multiscale procedure to couple a mesoscale discrete particle model and a macroscale continuum model of incompressible fluid flow is proposed in this study. We call this procedure the mesoscopic bridging scale (MBS) method since it is developed on the basis of the bridging scale method for coupling molecular dynamics and finite element models [G.J. Wagner, W.K. Liu, Coupling of atomistic and continuum simulations using a bridging scale decomposition, J. Comput. Phys. 190 (2003) 249–274]. We derive the governing equations of the MBS method and show that the differential equations of motion of the mesoscale discrete particle model and finite element (FE) model are only coupled through the force terms. Based on this coupling, we express the finite element equations which rely on the Navier–Stokes and continuity equations, in a way that the internal nodal FE forces are evaluated using viscous stresses from the mesoscale model. The dissipative particle dynamics (DPD) method for the discrete particle mesoscale model is employed. The entire fluid domain is divided into a local domain and a global domain. Fluid flow in the local domain is modeled with both DPD and FE method, while fluid flow in the global domain is modeled by the FE method only. The MBS method is suitable for modeling complex (colloidal) fluid flows, where continuum methods are sufficiently accurate only in the large fluid domain, while small, local regions of particular interest require detailed modeling by mesoscopic discrete particles. Solved examples – simple Poiseuille and driven cavity flows illustrate the applicability of the proposed MBS method. PMID:23814322

Kinetic-Scale Magnetic Turbulence and Finite Larmor Radius Effects at Mercury

NASA Technical Reports Server (NTRS)

Uritsky, V. M.; Slavin, J. A.; Khazanov, G. V.; Donovan, E. F.; Boardsen, S. A.; Anderson, B. J.; Korth, H.

2011-01-01

We use a nonstationary generalization of the higher-order structure function technique to investigate statistical properties of the magnetic field fluctuations recorded by MESSENGER spacecraft during its first flyby (01/14/2008) through the near-Mercury space environment, with the emphasis on key boundary regions participating in the solar wind - magnetosphere interaction. Our analysis shows, for the first time, that kinetic-scale fluctuations play a significant role in the Mercury's magnetosphere up to the largest resolvable timescale (approx.20 s) imposed by the signal nonstationariry, suggesting that turbulence at this plane I is largely controlled by finite Larmor radius effects. In particular, we report the presence of a highly turbulent and extended foreshock system filled with packets of ULF oscillations, broad-band intermittent fluctuations in the magnetosheath, ion-kinetic turbulence in the central plasma sheet of Mercury's magnetotail, and kinetic-scale fluctuations in the inner current sheet encountered at the outbound (dawn-side) magnetopause. Overall, our measurements indicate that the Hermean magnetosphere, as well as the surrounding region, are strongly affected by non-MHD effects introduced by finite sizes of cyclotron orbits of the constituting ion species. Physical mechanisms of these effects and their potentially critical impact on the structure and dynamics of Mercury's magnetic field remain to be understood.

Continuum calculations of continental deformation in transcurrent environments

NASA Technical Reports Server (NTRS)

Sonder, L. J.; England, P. C.; Houseman, G. A.

1986-01-01

A thin viscous sheet approximation is used to investigate continental deformation near a strike-slip boundary. The vertically averaged velocity field is calculated for a medium characterized by a power law rheology with stress exponent n. Driving stresses include those applied along boundaries of the sheet and those arising from buoyancy forces related to lateral differences in crustal thickness. Exact and approximate analytic solutions for a region with a sinusoidal strike-slip boundary condition are compared with solutions for more geologically relevant boundary conditions obtained using a finite element technique. The across-strike length scale of the deformation is approximately 1/4pi x sq rt n times the dominant wavelength of the imposed strike-slip boundary condition for both the analytic and the numerical solutions; this result is consistent with length scales observed in continental regions of large-scale transcurrent faulting. An approximate, linear relationship between displacement and rotation is found that depends only on the deformation length scale and the rheology. Calculated displacements, finite rotations, and distribution of crustal thicknesses are consistent with those observed in the region of the Pacific-North America plate boundary in California.

Scaling relationships of channel networks at large scales: Examples from two large-magnitude watersheds in Brittany, France

NASA Astrophysics Data System (ADS)

Crave, A.; Davy, P.

1997-01-01

We present a statistical analysis on two watersheds in French Brittany whose drainage areas are about 10,000 and 2000 km2. The channel system was analysed from the digitised blue lines of the 1:100,000 map and from a 250-m DEM. Link lengths follow an exponential distribution, consistent with the Markovian model of channel branching proposed by Smart (1968). The departure from the exponential distribution for small lengths, that has been extensively discussed before, results from a statistical effect due to the finite number of channels and junctions. The Strahler topology applied on channels defines a self-similar organisation whose similarity dimension is about 1.7, that is clearly smaller than the value of 2 expected for a random organisation. The similarity dimension is consistent with an independent measurement of the Horton ratios of stream numbers and lengths. The variables defined by an upstream integral (drainage area, mainstream length, upstream length) follow power-law distributions limited at large scales by a finite size effect, due to the finite area of the watersheds. A special emphasis is given to the exponent of the drainage area, aA, that has been previously discussed in the context of different aggregation models relevant to channel network growth. We show that aA is consistent with 4/3, a value that was obtained and analytically demonstrated from directed random walk aggregating models, inspired by the model of Scheidegger (1967). The drainage density and mainstream length present no simple scaling with area, except at large areas where they tend to trivial values: constant density and square root of drainage area, respectively. These asymptotic limits necessarily imply that the space dimension of channel networks is 2, equal to the embedding space. The limits are reached for drainage areas larger than 100 km2. For smaller areas, the asymptotic limit represents either a lower bound (drainage density) or an upper bound (mainstream length) of the distributions. Because the fluctuations of the drainage density slowly converge to a finite limit, the system could be adequately described as a fat fractal, where the average drainage density is the sum of a constant plus a fluctuation decreasing as a power law with integrating area. A fat fractal hypothesis could explain why the similarity dimension is not equal to the fractal capacity dimension, as it is for thin fractals. The physical consequences are not yet really understood, but we draw an analogy with a directed aggregating system where the growth process involves both stochastic and deterministic growth. These models are known to be fat fractals, and the deterministic growth, which constitutes a fundamental ingredient of these models, could be attributed in river systems to the role of terrestrial gravity.

The role of fanatics in consensus formation

NASA Astrophysics Data System (ADS)

Gündüç, Semra

2015-08-01

A model of opinion dynamics with two types of agents as social actors are presented, using the Ising thermodynamic model as the dynamics template. The agents are considered as opportunists which live at sites and interact with the neighbors, or fanatics/missionaries which move from site to site randomly in persuasion of converting agents of opposite opinion with the help of opportunists. Here, the moving agents act as an external influence on the opportunists to convert them to the opposite opinion. It is shown by numerical simulations that such dynamics of opinion formation may explain some details of consensus formation even when one of the opinions are held by a minority. Regardless the distribution of the opinion, different size societies exhibit different opinion formation behavior and time scales. In order to understand general behavior, the scaling relations obtained by comparing opinion formation processes observed in societies with varying population and number of randomly moving agents are studied. For the proposed model two types of scaling relations are observed. In fixed size societies, increasing the number of randomly moving agents give a scaling relation for the time scale of the opinion formation process. The second type of scaling relation is due to the size dependent information propagation in finite but large systems, namely finite-size scaling.

On the accuracy of modelling the dynamics of large space structures

NASA Technical Reports Server (NTRS)

Diarra, C. M.; Bainum, P. M.

1985-01-01

Proposed space missions will require large scale, light weight, space based structural systems. Large space structure technology (LSST) systems will have to accommodate (among others): ocean data systems; electronic mail systems; large multibeam antenna systems; and, space based solar power systems. The structures are to be delivered into orbit by the space shuttle. Because of their inherent size, modelling techniques and scaling algorithms must be developed so that system performance can be predicted accurately prior to launch and assembly. When the size and weight-to-area ratio of proposed LSST systems dictate that the entire system be considered flexible, there are two basic modeling methods which can be used. The first is a continuum approach, a mathematical formulation for predicting the motion of a general orbiting flexible body, in which elastic deformations are considered small compared with characteristic body dimensions. This approach is based on an a priori knowledge of the frequencies and shape functions of all modes included within the system model. Alternatively, finite element techniques can be used to model the entire structure as a system of lumped masses connected by a series of (restoring) springs and possibly dampers. In addition, a computational algorithm was developed to evaluate the coefficients of the various coupling terms in the equations of motion as applied to the finite element model of the Hoop/Column.

Fast-dynamo action in unsteady flows and maps in three dimensions

NASA Technical Reports Server (NTRS)

Bayly, B. J.; Childress, S.

1987-01-01

Unsteady fast-dynamo action is obtained in a family of stretch-fold-shear maps applied to a spatially periodic magnetic field in three dimensions. Exponential growth of a mean field in the limit of vanishing diffusivity is demonstrated by a numerical method which alternates instantaneous deformations with molecular diffusion over a finite time interval. Analysis indicates that the dynamo is a coherent feature of the large scales, essentially independent of the cascade of structure to small scales.

Kicking atoms with finite duration pulses

NASA Astrophysics Data System (ADS)

Fekete, Julia; Chai, Shijie; Daszuta, Boris; Andersen, Mikkel F.

2016-05-01

The atom optics delta-kicked particle is a paradigmatic system for experimental studies of quantum chaos and classical-quantum correspondence. It consists of a cloud of laser cooled atoms exposed to a periodically pulsed standing wave of far off-resonant laser light. A purely quantum phenomena in such systems are quantum resonances which transfers the atoms into a coherent superposition of largely separated momentum states. Using such large momentum transfer ``beamsplitters'' in atom interferometers may have applications in high precision metrology. The growth in momentum separation cannot be maintained indefinitely due to finite laser power. The largest momentum transfer is achieved by violating the usual delta-kick assumption. Therefore we explore the behavior of the atom optics kicked particle with finite pulse duration. We have developed a semi-classical model which shows good agreement with the full quantum description as well as our experiments. Furthermore we have found a simple scaling law that helps to identify optimal parameters for an atom interferometer. We verify this by measurements of the ``Talbot time'' (a measurement of h/m) which together with other well-known constants constitute a measurement of the fine structure constant.

Formation of large-scale structures with sharp density gradient through Rayleigh-Taylor growth in a two-dimensional slab under the two-fluid and finite Larmor radius effects

DOE Office of Scientific and Technical Information (OSTI.GOV)

Goto, R.; Hatori, T.; Miura, H., E-mail: miura.hideaki@nifs.ac.jp

Two-fluid and the finite Larmor effects on linear and nonlinear growth of the Rayleigh-Taylor instability in a two-dimensional slab are studied numerically with special attention to high-wave-number dynamics and nonlinear structure formation at a low β-value. The two effects stabilize the unstable high wave number modes for a certain range of the β-value. In nonlinear simulations, the absence of the high wave number modes in the linear stage leads to the formation of the density field structure much larger than that in the single-fluid magnetohydrodynamic simulation, together with a sharp density gradient as well as a large velocity difference. Themore » formation of the sharp velocity difference leads to a subsequent Kelvin-Helmholtz-type instability only when both the two-fluid and finite Larmor radius terms are incorporated, whereas it is not observed otherwise. It is shown that the emergence of the secondary instability can modify the outline of the turbulent structures associated with the primary Rayleigh-Taylor instability.« less

An extended algebraic variational multiscale-multigrid-multifractal method (XAVM4) for large-eddy simulation of turbulent two-phase flow

NASA Astrophysics Data System (ADS)

Rasthofer, U.; Wall, W. A.; Gravemeier, V.

2018-04-01

A novel and comprehensive computational method, referred to as the eXtended Algebraic Variational Multiscale-Multigrid-Multifractal Method (XAVM4), is proposed for large-eddy simulation of the particularly challenging problem of turbulent two-phase flow. The XAVM4 involves multifractal subgrid-scale modeling as well as a Nitsche-type extended finite element method as an approach for two-phase flow. The application of an advanced structural subgrid-scale modeling approach in conjunction with a sharp representation of the discontinuities at the interface between two bulk fluids promise high-fidelity large-eddy simulation of turbulent two-phase flow. The high potential of the XAVM4 is demonstrated for large-eddy simulation of turbulent two-phase bubbly channel flow, that is, turbulent channel flow carrying a single large bubble of the size of the channel half-width in this particular application.

Multi-scale Slip Inversion Based on Simultaneous Spatial and Temporal Domain Wavelet Transform

NASA Astrophysics Data System (ADS)

Liu, W.; Yao, H.; Yang, H. Y.

2017-12-01

Finite fault inversion is a widely used method to study earthquake rupture processes. Some previous studies have proposed different methods to implement finite fault inversion, including time-domain, frequency-domain, and wavelet-domain methods. Many previous studies have found that different frequency bands show different characteristics of the seismic rupture (e.g., Wang and Mori, 2011; Yao et al., 2011, 2013; Uchide et al., 2013; Yin et al., 2017). Generally, lower frequency waveforms correspond to larger-scale rupture characteristics while higher frequency data are representative of smaller-scale ones. Therefore, multi-scale analysis can help us understand the earthquake rupture process thoroughly from larger scale to smaller scale. By the use of wavelet transform, the wavelet-domain methods can analyze both the time and frequency information of signals in different scales. Traditional wavelet-domain methods (e.g., Ji et al., 2002) implement finite fault inversion with both lower and higher frequency signals together to recover larger-scale and smaller-scale characteristics of the rupture process simultaneously. Here we propose an alternative strategy with a two-step procedure, i.e., firstly constraining the larger-scale characteristics with lower frequency signals, and then resolving the smaller-scale ones with higher frequency signals. We have designed some synthetic tests to testify our strategy and compare it with the traditional one. We also have applied our strategy to study the 2015 Gorkha Nepal earthquake using tele-seismic waveforms. Both the traditional method and our two-step strategy only analyze the data in different temporal scales (i.e., different frequency bands), while the spatial distribution of model parameters also shows multi-scale characteristics. A more sophisticated strategy is to transfer the slip model into different spatial scales, and then analyze the smooth slip distribution (larger scales) with lower frequency data firstly and more detailed slip distribution (smaller scales) with higher frequency data subsequently. We are now implementing the slip inversion using both spatial and temporal domain wavelets. This multi-scale analysis can help us better understand frequency-dependent rupture characteristics of large earthquakes.

Optics and Nonlinear Buckling Mechanics in Large-Area, Highly Stretchable Arrays of Plasmonic Nanostructures.

PubMed

Gao, Li; Zhang, Yihui; Zhang, Hui; Doshay, Sage; Xie, Xu; Luo, Hongying; Shah, Deesha; Shi, Yan; Xu, Siyi; Fang, Hui; Fan, Jonathan A; Nordlander, Peter; Huang, Yonggang; Rogers, John A

2015-06-23

Large-scale, dense arrays of plasmonic nanodisks on low-modulus, high-elongation elastomeric substrates represent a class of tunable optical systems, with reversible ability to shift key optical resonances over a range of nearly 600 nm at near-infrared wavelengths. At the most extreme levels of mechanical deformation (strains >100%), nonlinear buckling processes transform initially planar arrays into three-dimensional configurations, in which the nanodisks rotate out of the plane to form linear arrays with "wavy" geometries. Analytical, finite-element, and finite-difference time-domain models capture not only the physics of these buckling processes, including all of the observed modes, but also the quantitative effects of these deformations on the plasmonic responses. The results have relevance to mechanically tunable optical systems, particularly to soft optical sensors that integrate on or in the human body.

Multiplier Architecture for Coding Circuits

NASA Technical Reports Server (NTRS)

Wang, C. C.; Truong, T. K.; Shao, H. M.; Deutsch, L. J.

1986-01-01

Multipliers based on new algorithm for Galois-field (GF) arithmetic regular and expandable. Pipeline structures used for computing both multiplications and inverses. Designs suitable for implementation in very-large-scale integrated (VLSI) circuits. This general type of inverter and multiplier architecture especially useful in performing finite-field arithmetic of Reed-Solomon error-correcting codes and of some cryptographic algorithms.

The evolution of reciprocity in sizable human groups.

PubMed

Rothschild, Casey G

2009-04-21

The scale and complexity of human cooperation is an important and unresolved evolutionary puzzle. This article uses the finitely repeated n person Prisoners' Dilemma game to illustrate how sapience can greatly enhance group-selection effects and lead to the evolutionary stability of cooperation in large groups. This affords a simple and direct explanation of the human "exception".

Multigrid Equation Solvers for Large Scale Nonlinear Finite Element Simulations

DTIC Science & Technology

1999-01-01

purpose of the second partitioning phase , on each SMP, is to minimize the communication within the SMP; even if a multi - threaded matrix vector product...8.7 Comparison of model with experimental data for send phase of matrix vector product on ne grid...140 8.4 Matrix vector product phase times : : : : : : : : : : : : : : : : : : : : : : : 145 9.1 Flat and

Performance of fully-coupled algebraic multigrid preconditioners for large-scale VMS resistive MHD

DOE Office of Scientific and Technical Information (OSTI.GOV)

Lin, P. T.; Shadid, J. N.; Hu, J. J.

Here, we explore the current performance and scaling of a fully-implicit stabilized unstructured finite element (FE) variational multiscale (VMS) capability for large-scale simulations of 3D incompressible resistive magnetohydrodynamics (MHD). The large-scale linear systems that are generated by a Newton nonlinear solver approach are iteratively solved by preconditioned Krylov subspace methods. The efficiency of this approach is critically dependent on the scalability and performance of the algebraic multigrid preconditioner. Our study considers the performance of the numerical methods as recently implemented in the second-generation Trilinos implementation that is 64-bit compliant and is not limited by the 32-bit global identifiers of themore » original Epetra-based Trilinos. The study presents representative results for a Poisson problem on 1.6 million cores of an IBM Blue Gene/Q platform to demonstrate very large-scale parallel execution. Additionally, results for a more challenging steady-state MHD generator and a transient solution of a benchmark MHD turbulence calculation for the full resistive MHD system are also presented. These results are obtained on up to 131,000 cores of a Cray XC40 and one million cores of a BG/Q system.« less

Performance of fully-coupled algebraic multigrid preconditioners for large-scale VMS resistive MHD

DOE PAGES

Lin, P. T.; Shadid, J. N.; Hu, J. J.; ...

2017-11-06

Here, we explore the current performance and scaling of a fully-implicit stabilized unstructured finite element (FE) variational multiscale (VMS) capability for large-scale simulations of 3D incompressible resistive magnetohydrodynamics (MHD). The large-scale linear systems that are generated by a Newton nonlinear solver approach are iteratively solved by preconditioned Krylov subspace methods. The efficiency of this approach is critically dependent on the scalability and performance of the algebraic multigrid preconditioner. Our study considers the performance of the numerical methods as recently implemented in the second-generation Trilinos implementation that is 64-bit compliant and is not limited by the 32-bit global identifiers of themore » original Epetra-based Trilinos. The study presents representative results for a Poisson problem on 1.6 million cores of an IBM Blue Gene/Q platform to demonstrate very large-scale parallel execution. Additionally, results for a more challenging steady-state MHD generator and a transient solution of a benchmark MHD turbulence calculation for the full resistive MHD system are also presented. These results are obtained on up to 131,000 cores of a Cray XC40 and one million cores of a BG/Q system.« less

SQDFT: Spectral Quadrature method for large-scale parallel O(N) Kohn-Sham calculations at high temperature

NASA Astrophysics Data System (ADS)

Suryanarayana, Phanish; Pratapa, Phanisri P.; Sharma, Abhiraj; Pask, John E.

2018-03-01

We present SQDFT: a large-scale parallel implementation of the Spectral Quadrature (SQ) method for O(N) Kohn-Sham Density Functional Theory (DFT) calculations at high temperature. Specifically, we develop an efficient and scalable finite-difference implementation of the infinite-cell Clenshaw-Curtis SQ approach, in which results for the infinite crystal are obtained by expressing quantities of interest as bilinear forms or sums of bilinear forms, that are then approximated by spatially localized Clenshaw-Curtis quadrature rules. We demonstrate the accuracy of SQDFT by showing systematic convergence of energies and atomic forces with respect to SQ parameters to reference diagonalization results, and convergence with discretization to established planewave results, for both metallic and insulating systems. We further demonstrate that SQDFT achieves excellent strong and weak parallel scaling on computer systems consisting of tens of thousands of processors, with near perfect O(N) scaling with system size and wall times as low as a few seconds per self-consistent field iteration. Finally, we verify the accuracy of SQDFT in large-scale quantum molecular dynamics simulations of aluminum at high temperature.

Wakefield Computations for the CLIC PETS using the Parallel Finite Element Time-Domain Code T3P

DOE Office of Scientific and Technical Information (OSTI.GOV)

Candel, A; Kabel, A.; Lee, L.

In recent years, SLAC's Advanced Computations Department (ACD) has developed the high-performance parallel 3D electromagnetic time-domain code, T3P, for simulations of wakefields and transients in complex accelerator structures. T3P is based on advanced higher-order Finite Element methods on unstructured grids with quadratic surface approximation. Optimized for large-scale parallel processing on leadership supercomputing facilities, T3P allows simulations of realistic 3D structures with unprecedented accuracy, aiding the design of the next generation of accelerator facilities. Applications to the Compact Linear Collider (CLIC) Power Extraction and Transfer Structure (PETS) are presented.

Control of finite critical behaviour in a small-scale social system

NASA Astrophysics Data System (ADS)

Daniels, Bryan C.; Krakauer, David C.; Flack, Jessica C.

2017-02-01

Many adaptive systems sit near a tipping or critical point. For systems near a critical point small changes to component behaviour can induce large-scale changes in aggregate structure and function. Criticality can be adaptive when the environment is changing, but entails reduced robustness through sensitivity. This tradeoff can be resolved when criticality can be tuned. We address the control of finite measures of criticality using data on fight sizes from an animal society model system (Macaca nemestrina, n=48). We find that a heterogeneous, socially organized system, like homogeneous, spatial systems (flocks and schools), sits near a critical point; the contributions individuals make to collective phenomena can be quantified; there is heterogeneity in these contributions; and distance from the critical point (DFC) can be controlled through biologically plausible mechanisms exploiting heterogeneity. We propose two alternative hypotheses for why a system decreases the distance from the critical point.

Local finite-amplitude wave activity as an objective diagnostic of midlatitude extreme weather

DOE Office of Scientific and Technical Information (OSTI.GOV)

Chen, Gang; Lu, Jian; Burrows, Alex D.

Midlatitude extreme weather events are responsible for a large part of climate related damage, yet our understanding of these extreme events is limited, partly due to the lack of a theoretical basis for midlatitude extreme weather. In this letter, the local finite-amplitude wave activity (LWA) of Huang and Nakamura [2015] is introduced as a diagnostic of the 500-hPa geopotential height (Z500) to characterizing midlatitude weather events. It is found that the LWA climatology and its variability associated with the Arctic Oscillation (AO) agree broadly with the previously reported blocking frequency in literature. There is a strong seasonal and spatial dependencemore » in the trend13 s of LWA in recent decades. While there is no observational evidence for a hemispheric-scale increase in wave amplitude, robust trends in wave activity can be identified at the regional scales, with important implications for regional climate change.« less

Pairing induced superconductivity in holography

NASA Astrophysics Data System (ADS)

Bagrov, Andrey; Meszena, Balazs; Schalm, Koenraad

2014-09-01

We study pairing induced superconductivity in large N strongly coupled systems at finite density using holography. In the weakly coupled dual gravitational theory the mechanism is conventional BCS theory. An IR hard wall cut-off is included to ensure that we can controllably address the dynamics of a single confined Fermi surface. We address in detail the interplay between the scalar order parameter field and fermion pairing. Adding an explicitly dynamical scalar operator with the same quantum numbers as the fermion-pair, the theory experiences a BCS/BEC crossover controlled by the relative scaling dimensions. We find the novel result that this BCS/BEC crossover exposes resonances in the canonical expectation value of the scalar operator. This occurs not only when the scaling dimension is degenerate with the Cooper pair, but also with that of higher derivative paired operators. We speculate that a proper definition of the order parameter which takes mixing with these operators into account stays finite nevertheless.

Continuous Easy-Plane Deconfined Phase Transition on the Kagome Lattice

NASA Astrophysics Data System (ADS)

Zhang, Xue-Feng; He, Yin-Chen; Eggert, Sebastian; Moessner, Roderich; Pollmann, Frank

2018-03-01

We use large scale quantum Monte Carlo simulations to study an extended Hubbard model of hard core bosons on the kagome lattice. In the limit of strong nearest-neighbor interactions at 1 /3 filling, the interplay between frustration and quantum fluctuations leads to a valence bond solid ground state. The system undergoes a quantum phase transition to a superfluid phase as the interaction strength is decreased. It is still under debate whether the transition is weakly first order or represents an unconventional continuous phase transition. We present a theory in terms of an easy plane noncompact C P1 gauge theory describing the phase transition at 1 /3 filling. Utilizing large scale quantum Monte Carlo simulations with parallel tempering in the canonical ensemble up to 15552 spins, we provide evidence that the phase transition is continuous at exactly 1 /3 filling. A careful finite size scaling analysis reveals an unconventional scaling behavior hinting at deconfined quantum criticality.

Large Eddy Simulation ... Where Do We Stand? International Workshop Held in St. Petersburg Beach, Florida on 19-21 December 1990.

DTIC Science & Technology

1990-01-01

S. Orszag, Chairman 1. P. Moin Some Issues in Computation of Turbulent Flows. 2. M. Lesieur, P. Comte, X. Normand, 0. Metais and A. Silveira Spectral...Richtmeyer’s computational experience with one-dimensional shock waves (1950) indicated the value of a non-linear artificial viscosity. Charney and... computer architecture and the advantages of semi-Lagrangian advective schemes may lure large-scale atmospheric modelers back to finite-difference

(Finite) statistical size effects on compressive strength.

PubMed

Weiss, Jérôme; Girard, Lucas; Gimbert, Florent; Amitrano, David; Vandembroucq, Damien

2014-04-29

The larger structures are, the lower their mechanical strength. Already discussed by Leonardo da Vinci and Edmé Mariotte several centuries ago, size effects on strength remain of crucial importance in modern engineering for the elaboration of safety regulations in structural design or the extrapolation of laboratory results to geophysical field scales. Under tensile loading, statistical size effects are traditionally modeled with a weakest-link approach. One of its prominent results is a prediction of vanishing strength at large scales that can be quantified in the framework of extreme value statistics. Despite a frequent use outside its range of validity, this approach remains the dominant tool in the field of statistical size effects. Here we focus on compressive failure, which concerns a wide range of geophysical and geotechnical situations. We show on historical and recent experimental data that weakest-link predictions are not obeyed. In particular, the mechanical strength saturates at a nonzero value toward large scales. Accounting explicitly for the elastic interactions between defects during the damage process, we build a formal analogy of compressive failure with the depinning transition of an elastic manifold. This critical transition interpretation naturally entails finite-size scaling laws for the mean strength and its associated variability. Theoretical predictions are in remarkable agreement with measurements reported for various materials such as rocks, ice, coal, or concrete. This formalism, which can also be extended to the flowing instability of granular media under multiaxial compression, has important practical consequences for future design rules.

The reality of artificial viscosity

DOE PAGES

Margolin, L. G.

2018-02-24

Artificial viscosity is used in the computer simulation of high Reynolds number flows and is one of the oldest numerical artifices. In this work, I will describe the origin and the interpretation of artificial viscosity as a physical phenomenon. The basis of this interpretation is the finite scale theory, which describes the evolution of integral averages of the fluid solution over finite (length) scales. I will outline the derivation of finite scale Navier–Stokes equations and highlight the particular properties of the equations that depend on the finite scales. Those properties include enslavement, inviscid dissipation, and a law concerning the partitionmore » of total flux of conserved quantities into advective and diffusive components.« less

The reality of artificial viscosity

DOE Office of Scientific and Technical Information (OSTI.GOV)

Margolin, L. G.

Artificial viscosity is used in the computer simulation of high Reynolds number flows and is one of the oldest numerical artifices. In this work, I will describe the origin and the interpretation of artificial viscosity as a physical phenomenon. The basis of this interpretation is the finite scale theory, which describes the evolution of integral averages of the fluid solution over finite (length) scales. I will outline the derivation of finite scale Navier–Stokes equations and highlight the particular properties of the equations that depend on the finite scales. Those properties include enslavement, inviscid dissipation, and a law concerning the partitionmore » of total flux of conserved quantities into advective and diffusive components.« less

Towards a theory of cortical columns: From spiking neurons to interacting neural populations of finite size.

PubMed

Schwalger, Tilo; Deger, Moritz; Gerstner, Wulfram

2017-04-01

Neural population equations such as neural mass or field models are widely used to study brain activity on a large scale. However, the relation of these models to the properties of single neurons is unclear. Here we derive an equation for several interacting populations at the mesoscopic scale starting from a microscopic model of randomly connected generalized integrate-and-fire neuron models. Each population consists of 50-2000 neurons of the same type but different populations account for different neuron types. The stochastic population equations that we find reveal how spike-history effects in single-neuron dynamics such as refractoriness and adaptation interact with finite-size fluctuations on the population level. Efficient integration of the stochastic mesoscopic equations reproduces the statistical behavior of the population activities obtained from microscopic simulations of a full spiking neural network model. The theory describes nonlinear emergent dynamics such as finite-size-induced stochastic transitions in multistable networks and synchronization in balanced networks of excitatory and inhibitory neurons. The mesoscopic equations are employed to rapidly integrate a model of a cortical microcircuit consisting of eight neuron types, which allows us to predict spontaneous population activities as well as evoked responses to thalamic input. Our theory establishes a general framework for modeling finite-size neural population dynamics based on single cell and synapse parameters and offers an efficient approach to analyzing cortical circuits and computations.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Chen, Gang

Mid-latitude extreme weather events are responsible for a large part of climate-related damage. Yet large uncertainties remain in climate model projections of heat waves, droughts, and heavy rain/snow events on regional scales, limiting our ability to effectively use these projections for climate adaptation and mitigation. These uncertainties can be attributed to both the lack of spatial resolution in the models, and to the lack of a dynamical understanding of these extremes. The approach of this project is to relate the fine-scale features to the large scales in current climate simulations, seasonal re-forecasts, and climate change projections in a very widemore » range of models, including the atmospheric and coupled models of ECMWF over a range of horizontal resolutions (125 to 10 km), aqua-planet configuration of the Model for Prediction Across Scales and High Order Method Modeling Environments (resolutions ranging from 240 km – 7.5 km) with various physics suites, and selected CMIP5 model simulations. The large scale circulation will be quantified both on the basis of the well tested preferred circulation regime approach, and very recently developed measures, the finite amplitude Wave Activity (FAWA) and its spectrum. The fine scale structures related to extremes will be diagnosed following the latest approaches in the literature. The goal is to use the large scale measures as indicators of the probability of occurrence of the finer scale structures, and hence extreme events. These indicators will then be applied to the CMIP5 models and time-slice projections of a future climate.« less

A non-perturbative exploration of the high energy regime in Nf=3 QCD. ALPHA Collaboration

NASA Astrophysics Data System (ADS)

Dalla Brida, Mattia; Fritzsch, Patrick; Korzec, Tomasz; Ramos, Alberto; Sint, Stefan; Sommer, Rainer

2018-05-01

Using continuum extrapolated lattice data we trace a family of running couplings in three-flavour QCD over a large range of scales from about 4 to 128 GeV. The scale is set by the finite space time volume so that recursive finite size techniques can be applied, and Schrödinger functional (SF) boundary conditions enable direct simulations in the chiral limit. Compared to earlier studies we have improved on both statistical and systematic errors. Using the SF coupling to implicitly define a reference scale 1/L_0≈ 4 GeV through \\bar{g}^2(L_0) =2.012, we quote L_0 Λ ^{N_f=3}_{{\\overline{MS}}} =0.0791(21). This error is dominated by statistics; in particular, the remnant perturbative uncertainty is negligible and very well controlled, by connecting to infinite renormalization scale from different scales 2^n/L_0 for n=0,1,\\ldots ,5. An intermediate step in this connection may involve any member of a one-parameter family of SF couplings. This provides an excellent opportunity for tests of perturbation theory some of which have been published in a letter (ALPHA collaboration, M. Dalla Brida et al. in Phys Rev Lett 117(18):182001, 2016). The results indicate that for our target precision of 3 per cent in L_0 Λ ^{N_f=3}_{{\\overline{MS}}}, a reliable estimate of the truncation error requires non-perturbative data for a sufficiently large range of values of α _s=\\bar{g}^2/(4π ). In the present work we reach this precision by studying scales that vary by a factor 2^5= 32, reaching down to α _s≈ 0.1. We here provide the details of our analysis and an extended discussion.

Efficient evaluation of the Coulomb force in the Gaussian and finite-element Coulomb method.

PubMed

Kurashige, Yuki; Nakajima, Takahito; Sato, Takeshi; Hirao, Kimihiko

2010-06-28

We propose an efficient method for evaluating the Coulomb force in the Gaussian and finite-element Coulomb (GFC) method, which is a linear-scaling approach for evaluating the Coulomb matrix and energy in large molecular systems. The efficient evaluation of the analytical gradient in the GFC is not straightforward as well as the evaluation of the energy because the SCF procedure with the Coulomb matrix does not give a variational solution for the Coulomb energy. Thus, an efficient approximate method is alternatively proposed, in which the Coulomb potential is expanded in the Gaussian and finite-element auxiliary functions as done in the GFC. To minimize the error in the gradient not just in the energy, the derived functions of the original auxiliary functions of the GFC are used additionally for the evaluation of the Coulomb gradient. In fact, the use of the derived functions significantly improves the accuracy of this approach. Although these additional auxiliary functions enlarge the size of the discretized Poisson equation and thereby increase the computational cost, it maintains the near linear scaling as the GFC and does not affects the overall efficiency of the GFC approach.

Exact Derivation of a Finite-Size Scaling Law and Corrections to Scaling in the Geometric Galton-Watson Process

PubMed Central

Corral, Álvaro; Garcia-Millan, Rosalba; Font-Clos, Francesc

2016-01-01

The theory of finite-size scaling explains how the singular behavior of thermodynamic quantities in the critical point of a phase transition emerges when the size of the system becomes infinite. Usually, this theory is presented in a phenomenological way. Here, we exactly demonstrate the existence of a finite-size scaling law for the Galton-Watson branching processes when the number of offsprings of each individual follows either a geometric distribution or a generalized geometric distribution. We also derive the corrections to scaling and the limits of validity of the finite-size scaling law away the critical point. A mapping between branching processes and random walks allows us to establish that these results also hold for the latter case, for which the order parameter turns out to be the probability of hitting a distant boundary. PMID:27584596

Concept For Generation Of Long Pseudorandom Sequences

NASA Technical Reports Server (NTRS)

Wang, C. C.

1990-01-01

Conceptual very-large-scale integrated (VLSI) digital circuit performs exponentiation in finite field. Algorithm that generates unusually long sequences of pseudorandom numbers executed by digital processor that includes such circuits. Concepts particularly advantageous for such applications as spread-spectrum communications, cryptography, and generation of ranging codes, synthetic noise, and test data, where usually desirable to make pseudorandom sequences as long as possible.

Stiffness and Poisson ratio in longitudinal compression of fiber yarns in meso-FE modelling of composite reinforcement forming

NASA Astrophysics Data System (ADS)

Wang, D.; Naouar, N.; Vidal-Salle, E.; Boisse, P.

2018-05-01

In meso-scale finite element modeling, the yarns of the reinforcement are considered to be solids made of a continuous material in contact with their neighbors. The present paper consider the mechanical behavior of these yarns that can happen for some loadings of the reinforcement. The yarns present a specific mechanical behavior when under longitudinal compression because they are made up of a large number of fibers, Local buckling of the fibers causes the compressive stiffness of the continuous material representing the yarn to be much weaker than when under tension. In addition, longitudinal compression causes an important transverse expansion. It is shown that the transverse expansion can be depicted by a Poisson ratio that remained roughly constant when the yarn length and the compression strain varied. Buckling of the fibers significantly increases the transverse dimensions of the yarn which leads to a large Poisson ratio (up to 12 for a yarn analyzed in the present study). Meso-scale finite element simulations of reinforcements with binder yarns submitted to longitudinal compression showed that these improvements led to results in good agreement with micro-CT analyses.

Small Scale Response and Modeling of Periodically Forced Turbulence

NASA Technical Reports Server (NTRS)

Bos, Wouter; Clark, Timothy T.; Rubinstein, Robert

2007-01-01

The response of the small scales of isotropic turbulence to periodic large scale forcing is studied using two-point closures. The frequency response of the turbulent kinetic energy and dissipation rate, and the phase shifts between production, energy and dissipation are determined as functions of Reynolds number. It is observed that the amplitude and phase of the dissipation exhibit nontrivial frequency and Reynolds number dependence that reveals a filtering effect of the energy cascade. Perturbation analysis is applied to understand this behavior which is shown to depend on distant interactions between widely separated scales of motion. Finally, the extent to which finite dimensional models (standard two-equation models and various generalizations) can reproduce the observed behavior is discussed.

ORNL Pre-test Analyses of A Large-scale Experiment in STYLE

DOE Office of Scientific and Technical Information (OSTI.GOV)

Williams, Paul T; Yin, Shengjun; Klasky, Hilda B

Oak Ridge National Laboratory (ORNL) is conducting a series of numerical analyses to simulate a large scale mock-up experiment planned within the European Network for Structural Integrity for Lifetime Management non-RPV Components (STYLE). STYLE is a European cooperative effort to assess the structural integrity of (non-reactor pressure vessel) reactor coolant pressure boundary components relevant to ageing and life-time management and to integrate the knowledge created in the project into mainstream nuclear industry assessment codes. ORNL contributes work-in-kind support to STYLE Work Package 2 (Numerical Analysis/Advanced Tools) and Work Package 3 (Engineering Assessment Methods/LBB Analyses). This paper summarizes the current statusmore » of ORNL analyses of the STYLE Mock-Up3 large-scale experiment to simulate and evaluate crack growth in a cladded ferritic pipe. The analyses are being performed in two parts. In the first part, advanced fracture mechanics models are being developed and performed to evaluate several experiment designs taking into account the capabilities of the test facility while satisfying the test objectives. Then these advanced fracture mechanics models will be utilized to simulate the crack growth in the large scale mock-up test. For the second part, the recently developed ORNL SIAM-PFM open-source, cross-platform, probabilistic computational tool will be used to generate an alternative assessment for comparison with the advanced fracture mechanics model results. The SIAM-PFM probabilistic analysis of the Mock-Up3 experiment will utilize fracture modules that are installed into a general probabilistic framework. The probabilistic results of the Mock-Up3 experiment obtained from SIAM-PFM will be compared to those results generated using the deterministic 3D nonlinear finite-element modeling approach. The objective of the probabilistic analysis is to provide uncertainty bounds that will assist in assessing the more detailed 3D finite-element solutions and to also assess the level of confidence that can be placed in the best-estimate finiteelement solutions.« less

Model verification of large structural systems. [space shuttle model response

NASA Technical Reports Server (NTRS)

Lee, L. T.; Hasselman, T. K.

1978-01-01

A computer program for the application of parameter identification on the structural dynamic models of space shuttle and other large models with hundreds of degrees of freedom is described. Finite element, dynamic, analytic, and modal models are used to represent the structural system. The interface with math models is such that output from any structural analysis program applied to any structural configuration can be used directly. Processed data from either sine-sweep tests or resonant dwell tests are directly usable. The program uses measured modal data to condition the prior analystic model so as to improve the frequency match between model and test. A Bayesian estimator generates an improved analytical model and a linear estimator is used in an iterative fashion on highly nonlinear equations. Mass and stiffness scaling parameters are generated for an improved finite element model, and the optimum set of parameters is obtained in one step.

Tomlinson-Harashima Precoding for Multiuser MIMO Systems With Quantized CSI Feedback and User Scheduling

NASA Astrophysics Data System (ADS)

Sun, Liang; McKay, Matthew R.

2014-08-01

This paper studies the sum rate performance of a low complexity quantized CSI-based Tomlinson-Harashima (TH) precoding scheme for downlink multiuser MIMO tansmission, employing greedy user selection. The asymptotic distribution of the output signal to interference plus noise ratio of each selected user and the asymptotic sum rate as the number of users K grows large are derived by using extreme value theory. For fixed finite signal to noise ratios and a finite number of transmit antennas $n_T$, we prove that as K grows large, the proposed approach can achieve the optimal sum rate scaling of the MIMO broadcast channel. We also prove that, if we ignore the precoding loss, the average sum rate of this approach converges to the average sum capacity of the MIMO broadcast channel. Our results provide insights into the effect of multiuser interference caused by quantized CSI on the multiuser diversity gain.

Large Eddy Simulation of wind turbine wakes: detailed comparisons of two codes focusing on effects of numerics and subgrid modeling

NASA Astrophysics Data System (ADS)

Martínez-Tossas, Luis A.; Churchfield, Matthew J.; Meneveau, Charles

2015-06-01

In this work we report on results from a detailed comparative numerical study from two Large Eddy Simulation (LES) codes using the Actuator Line Model (ALM). The study focuses on prediction of wind turbine wakes and their breakdown when subject to uniform inflow. Previous studies have shown relative insensitivity to subgrid modeling in the context of a finite-volume code. The present study uses the low dissipation pseudo-spectral LES code from Johns Hopkins University (LESGO) and the second-order, finite-volume OpenFOAMcode (SOWFA) from the National Renewable Energy Laboratory. When subject to uniform inflow, the loads on the blades are found to be unaffected by subgrid models or numerics, as expected. The turbulence in the wake and the location of transition to a turbulent state are affected by the subgrid-scale model and the numerics.

Large Eddy Simulation of Wind Turbine Wakes. Detailed Comparisons of Two Codes Focusing on Effects of Numerics and Subgrid Modeling

DOE PAGES

Martinez-Tossas, Luis A.; Churchfield, Matthew J.; Meneveau, Charles

2015-06-18

In this work we report on results from a detailed comparative numerical study from two Large Eddy Simulation (LES) codes using the Actuator Line Model (ALM). The study focuses on prediction of wind turbine wakes and their breakdown when subject to uniform inflow. Previous studies have shown relative insensitivity to subgrid modeling in the context of a finite-volume code. The present study uses the low dissipation pseudo-spectral LES code from Johns Hopkins University (LESGO) and the second-order, finite-volume OpenFOAMcode (SOWFA) from the National Renewable Energy Laboratory. When subject to uniform inflow, the loads on the blades are found to bemore » unaffected by subgrid models or numerics, as expected. The turbulence in the wake and the location of transition to a turbulent state are affected by the subgrid-scale model and the numerics.« less

Exchange-driven growth.

PubMed

Ben-Naim, E; Krapivsky, P L

2003-09-01

We study a class of growth processes in which clusters evolve via exchange of particles. We show that depending on the rate of exchange there are three possibilities: (I) Growth-clusters grow indefinitely, (II) gelation-all mass is transformed into an infinite gel in a finite time, and (III) instant gelation. In regimes I and II, the cluster size distribution attains a self-similar form. The large size tail of the scaling distribution is Phi(x) approximately exp(-x(2-nu)), where nu is a homogeneity degree of the rate of exchange. At the borderline case nu=2, the distribution exhibits a generic algebraic tail, Phi(x) approximately x(-5). In regime III, the gel nucleates immediately and consumes the entire system. For finite systems, the gelation time vanishes logarithmically, T approximately [lnN](-(nu-2)), in the large system size limit N--> infinity. The theory is applied to coarsening in the infinite range Ising-Kawasaki model and in electrostatically driven granular layers.

Large Eddy simulation of compressible flows with a low-numerical dissipation patch-based adaptive mesh refinement method

NASA Astrophysics Data System (ADS)

Pantano, Carlos

2005-11-01

We describe a hybrid finite difference method for large-eddy simulation (LES) of compressible flows with a low-numerical dissipation scheme and structured adaptive mesh refinement (SAMR). Numerical experiments and validation calculations are presented including a turbulent jet and the strongly shock-driven mixing of a Richtmyer-Meshkov instability. The approach is a conservative flux-based SAMR formulation and as such, it utilizes refinement to computational advantage. The numerical method for the resolved scale terms encompasses the cases of scheme alternation and internal mesh interfaces resulting from SAMR. An explicit centered scheme that is consistent with a skew-symmetric finite difference formulation is used in turbulent flow regions while a weighted essentially non-oscillatory (WENO) scheme is employed to capture shocks. The subgrid stresses and transports are calculated by means of the streched-vortex model, Misra & Pullin (1997)

Efficient parallelization of analytic bond-order potentials for large-scale atomistic simulations

NASA Astrophysics Data System (ADS)

Teijeiro, C.; Hammerschmidt, T.; Drautz, R.; Sutmann, G.

2016-07-01

Analytic bond-order potentials (BOPs) provide a way to compute atomistic properties with controllable accuracy. For large-scale computations of heterogeneous compounds at the atomistic level, both the computational efficiency and memory demand of BOP implementations have to be optimized. Since the evaluation of BOPs is a local operation within a finite environment, the parallelization concepts known from short-range interacting particle simulations can be applied to improve the performance of these simulations. In this work, several efficient parallelization methods for BOPs that use three-dimensional domain decomposition schemes are described. The schemes are implemented into the bond-order potential code BOPfox, and their performance is measured in a series of benchmarks. Systems of up to several millions of atoms are simulated on a high performance computing system, and parallel scaling is demonstrated for up to thousands of processors.

Field-scale and wellbore modeling of compaction-induced casing failures

DOE Office of Scientific and Technical Information (OSTI.GOV)

Hilbert, L.B. Jr.; Gwinn, R.L.; Moroney, T.A.

1999-06-01

Presented in this paper are the results and verification of field- and wellbore-scale large deformation, elasto-plastic, geomechanical finite element models of reservoir compaction and associated casing damage. The models were developed as part of a multidisciplinary team project to reduce the number of costly well failures in the diatomite reservoir of the South Belridge Field near Bakersfield, California. Reservoir compaction of high porosity diatomite rock induces localized shearing deformations on horizontal weak-rock layers and geologic unconformities. The localized shearing deformations result in casing damage or failure. Two-dimensional, field-scale finite element models were used to develop relationships between field operations, surfacemore » subsidence, and shear-induced casing damage. Pore pressures were computed for eighteen years of simulated production and water injection, using a three-dimensional reservoir simulator. The pore pressures were input to the two-dimensional geomechanical field-scale model. Frictional contact surfaces were used to model localized shear deformations. To capture the complex casing-cement-rock interaction that governs casing damage and failure, three-dimensional models of a wellbore were constructed, including a frictional sliding surface to model localized shear deformation. Calculations were compared to field data for verification of the models.« less

Accurate traveltime computation in complex anisotropic media with discontinuous Galerkin method

NASA Astrophysics Data System (ADS)

Le Bouteiller, P.; Benjemaa, M.; Métivier, L.; Virieux, J.

2017-12-01

Travel time computation is of major interest for a large range of geophysical applications, among which source localization and characterization, phase identification, data windowing and tomography, from decametric scale up to global Earth scale.Ray-tracing tools, being essentially 1D Lagrangian integration along a path, have been used for their efficiency but present some drawbacks, such as a rather difficult control of the medium sampling. Moreover, they do not provide answers in shadow zones. Eikonal solvers, based on an Eulerian approach, have attracted attention in seismology with the pioneering work of Vidale (1988), while such approach has been proposed earlier by Riznichenko (1946). They have been used now for first-arrival travel-time tomography at various scales (Podvin & Lecomte (1991). The framework for solving this non-linear partial differential equation is now well understood and various finite-difference approaches have been proposed, essentially for smooth media. We propose a novel finite element approach which builds a precise solution for strongly heterogeneous anisotropic medium (still in the limit of Eikonal validity). The discontinuous Galerkin method we have developed allows local refinement of the mesh and local high orders of interpolation inside elements. High precision of the travel times and its spatial derivatives is obtained through this formulation. This finite element method also honors boundary conditions, such as complex topographies and absorbing boundaries for mimicking an infinite medium. Applications from travel-time tomography, slope tomography are expected, but also for migration and take-off angles estimation, thanks to the accuracy obtained when computing first-arrival times.References:Podvin, P. and Lecomte, I., 1991. Finite difference computation of traveltimes in very contrasted velocity model: a massively parallel approach and its associated tools, Geophys. J. Int., 105, 271-284.Riznichenko, Y., 1946. Geometrical seismics of layered media, Trudy Inst. Theor. Geophysics, Vol II, Moscow (in Russian).Vidale, J., 1988. Finite-difference calculation of travel times, Bull. seism. Soc. Am., 78, 2062-2076.

Decoupling local mechanics from large-scale structure in modular metamaterials.

PubMed

Yang, Nan; Silverberg, Jesse L

2017-04-04

A defining feature of mechanical metamaterials is that their properties are determined by the organization of internal structure instead of the raw fabrication materials. This shift of attention to engineering internal degrees of freedom has coaxed relatively simple materials into exhibiting a wide range of remarkable mechanical properties. For practical applications to be realized, however, this nascent understanding of metamaterial design must be translated into a capacity for engineering large-scale structures with prescribed mechanical functionality. Thus, the challenge is to systematically map desired functionality of large-scale structures backward into a design scheme while using finite parameter domains. Such "inverse design" is often complicated by the deep coupling between large-scale structure and local mechanical function, which limits the available design space. Here, we introduce a design strategy for constructing 1D, 2D, and 3D mechanical metamaterials inspired by modular origami and kirigami. Our approach is to assemble a number of modules into a voxelized large-scale structure, where the module's design has a greater number of mechanical design parameters than the number of constraints imposed by bulk assembly. This inequality allows each voxel in the bulk structure to be uniquely assigned mechanical properties independent from its ability to connect and deform with its neighbors. In studying specific examples of large-scale metamaterial structures we show that a decoupling of global structure from local mechanical function allows for a variety of mechanically and topologically complex designs.

Decoupling local mechanics from large-scale structure in modular metamaterials

NASA Astrophysics Data System (ADS)

Yang, Nan; Silverberg, Jesse L.

2017-04-01

A defining feature of mechanical metamaterials is that their properties are determined by the organization of internal structure instead of the raw fabrication materials. This shift of attention to engineering internal degrees of freedom has coaxed relatively simple materials into exhibiting a wide range of remarkable mechanical properties. For practical applications to be realized, however, this nascent understanding of metamaterial design must be translated into a capacity for engineering large-scale structures with prescribed mechanical functionality. Thus, the challenge is to systematically map desired functionality of large-scale structures backward into a design scheme while using finite parameter domains. Such “inverse design” is often complicated by the deep coupling between large-scale structure and local mechanical function, which limits the available design space. Here, we introduce a design strategy for constructing 1D, 2D, and 3D mechanical metamaterials inspired by modular origami and kirigami. Our approach is to assemble a number of modules into a voxelized large-scale structure, where the module’s design has a greater number of mechanical design parameters than the number of constraints imposed by bulk assembly. This inequality allows each voxel in the bulk structure to be uniquely assigned mechanical properties independent from its ability to connect and deform with its neighbors. In studying specific examples of large-scale metamaterial structures we show that a decoupling of global structure from local mechanical function allows for a variety of mechanically and topologically complex designs.

Generation of segmental chips in metal cutting modeled with the PFEM

NASA Astrophysics Data System (ADS)

Rodriguez Prieto, J. M.; Carbonell, J. M.; Cante, J. C.; Oliver, J.; Jonsén, P.

2018-06-01

The Particle Finite Element Method, a lagrangian finite element method based on a continuous Delaunay re-triangulation of the domain, is used to study machining of Ti6Al4V. In this work the method is revised and applied to study the influence of the cutting speed on the cutting force and the chip formation process. A parametric methodology for the detection and treatment of the rigid tool contact is presented. The adaptive insertion and removal of particles are developed and employed in order to sidestep the difficulties associated with mesh distortion, shear localization as well as for resolving the fine-scale features of the solution. The performance of PFEM is studied with a set of different two-dimensional orthogonal cutting tests. It is shown that, despite its Lagrangian nature, the proposed combined finite element-particle method is well suited for large deformation metal cutting problems with continuous chip and serrated chip formation.

Generation of segmental chips in metal cutting modeled with the PFEM

NASA Astrophysics Data System (ADS)

Rodriguez Prieto, J. M.; Carbonell, J. M.; Cante, J. C.; Oliver, J.; Jonsén, P.

2017-09-01

The Particle Finite Element Method, a lagrangian finite element method based on a continuous Delaunay re-triangulation of the domain, is used to study machining of Ti6Al4V. In this work the method is revised and applied to study the influence of the cutting speed on the cutting force and the chip formation process. A parametric methodology for the detection and treatment of the rigid tool contact is presented. The adaptive insertion and removal of particles are developed and employed in order to sidestep the difficulties associated with mesh distortion, shear localization as well as for resolving the fine-scale features of the solution. The performance of PFEM is studied with a set of different two-dimensional orthogonal cutting tests. It is shown that, despite its Lagrangian nature, the proposed combined finite element-particle method is well suited for large deformation metal cutting problems with continuous chip and serrated chip formation.

Numerical simulation of large-scale field-aligned current generation from finite-amplitude magnetosonic waves

NASA Technical Reports Server (NTRS)

Yamauchi, M.

1994-01-01

A two-dimensional numerical simulation of finite-amplitude magnetohydrodynamic (MHD) magnetosonic waves is performed under a finite-velocity background convection condition. Isothermal cases are considered for simplicity. External dissipation is introduced by assuming that the field-aligned currents are generated in proportion to the accumulated charges. The simulation results are as follows: Paired field-aligned currents are found from the simulated waves. The flow directions of these field-aligned currents depend on the angle between the background convection and the wave normal, and hence two pairs of field-aligned currents are found from a bowed wave if we look at the overall structure. The majority of these field-aligned currents are closed within each pair rather than between two wings. These features are not observed under slow background convection. The result could be applied to the cusp current system and the substorm current system.

A new technique for simulating composite material

NASA Technical Reports Server (NTRS)

Volakis, John L.

1991-01-01

This project dealt with the development on new methodologies and algorithms for the multi-spectrum electromagnetic characterization of large scale nonmetallic airborne vehicles and structures. A robust, low memory, and accurate methodology was developed which is particularly suited for modern machine architectures. This is a hybrid finite element method that combines two well known numerical solution approaches. That of the finite element method for modeling volumes and the boundary integral method which yields exact boundary conditions for terminating the finite element mesh. In addition, a variety of high frequency results were generated (such as diffraction coefficients for impedance surfaces and material layers) and a class of boundary conditions were developed which hold promise for more efficient simulations. During the course of this project, nearly 25 detailed research reports were generated along with an equal number of journal papers. The reports, papers, and journal articles are listed in the appendices along with their abstracts.

Extension of the frequency-domain pFFT method for wave structure interaction in finite depth

NASA Astrophysics Data System (ADS)

Teng, Bin; Song, Zhi-jie

2017-06-01

To analyze wave interaction with a large scale body in the frequency domain, a precorrected Fast Fourier Transform (pFFT) method has been proposed for infinite depth problems with the deep water Green function, as it can form a matrix with Toeplitz and Hankel properties. In this paper, a method is proposed to decompose the finite depth Green function into two terms, which can form matrices with the Toeplitz and a Hankel properties respectively. Then, a pFFT method for finite depth problems is developed. Based on the pFFT method, a numerical code pFFT-HOBEM is developed with the discretization of high order elements. The model is validated, and examinations on the computing efficiency and memory requirement of the new method have also been carried out. It shows that the new method has the same advantages as that for infinite depth.

A combined finite element-boundary element formulation for solution of axially symmetric bodies

NASA Technical Reports Server (NTRS)

Collins, Jeffrey D.; Volakis, John L.

1991-01-01

A new method is presented for the computation of electromagnetic scattering from axially symmetric bodies. To allow the simulation of inhomogeneous cross sections, the method combines the finite element and boundary element techniques. Interior to a fictitious surface enclosing the scattering body, the finite element method is used which results in a sparce submatrix, whereas along the enclosure the Stratton-Chu integral equation is enforced. By choosing the fictitious enclosure to be a right circular cylinder, most of the resulting boundary integrals are convolutional and may therefore be evaluated via the FFT with which the system is iteratively solved. In view of the sparce matrix associated with the interior fields, this reduces the storage requirement of the entire system to O(N) making the method attractive for large scale computations. The details of the corresponding formulation and its numerical implementation are described.

The accuracy of the Gaussian-and-finite-element-Coulomb (GFC) method for the calculation of Coulomb integrals.

PubMed

Przybytek, Michal; Helgaker, Trygve

2013-08-07

We analyze the accuracy of the Coulomb energy calculated using the Gaussian-and-finite-element-Coulomb (GFC) method. In this approach, the electrostatic potential associated with the molecular electronic density is obtained by solving the Poisson equation and then used to calculate matrix elements of the Coulomb operator. The molecular electrostatic potential is expanded in a mixed Gaussian-finite-element (GF) basis set consisting of Gaussian functions of s symmetry centered on the nuclei (with exponents obtained from a full optimization of the atomic potentials generated by the atomic densities from symmetry-averaged restricted open-shell Hartree-Fock theory) and shape functions defined on uniform finite elements. The quality of the GF basis is controlled by means of a small set of parameters; for a given width of the finite elements d, the highest accuracy is achieved at smallest computational cost when tricubic (n = 3) elements are used in combination with two (γ(H) = 2) and eight (γ(1st) = 8) Gaussians on hydrogen and first-row atoms, respectively, with exponents greater than a given threshold (αmin (G)=0.5). The error in the calculated Coulomb energy divided by the number of atoms in the system depends on the system type but is independent of the system size or the orbital basis set, vanishing approximately like d(4) with decreasing d. If the boundary conditions for the Poisson equation are calculated in an approximate way, the GFC method may lose its variational character when the finite elements are too small; with larger elements, it is less sensitive to inaccuracies in the boundary values. As it is possible to obtain accurate boundary conditions in linear time, the overall scaling of the GFC method for large systems is governed by another computational step-namely, the generation of the three-center overlap integrals with three Gaussian orbitals. The most unfavorable (nearly quadratic) scaling is observed for compact, truly three-dimensional systems; however, this scaling can be reduced to linear by introducing more effective techniques for recognizing significant three-center overlap distributions.

Large-scale 3D geoelectromagnetic modeling using parallel adaptive high-order finite element method

DOE PAGES

Grayver, Alexander V.; Kolev, Tzanio V.

2015-11-01

Here, we have investigated the use of the adaptive high-order finite-element method (FEM) for geoelectromagnetic modeling. Because high-order FEM is challenging from the numerical and computational points of view, most published finite-element studies in geoelectromagnetics use the lowest order formulation. Solution of the resulting large system of linear equations poses the main practical challenge. We have developed a fully parallel and distributed robust and scalable linear solver based on the optimal block-diagonal and auxiliary space preconditioners. The solver was found to be efficient for high finite element orders, unstructured and nonconforming locally refined meshes, a wide range of frequencies, largemore » conductivity contrasts, and number of degrees of freedom (DoFs). Furthermore, the presented linear solver is in essence algebraic; i.e., it acts on the matrix-vector level and thus requires no information about the discretization, boundary conditions, or physical source used, making it readily efficient for a wide range of electromagnetic modeling problems. To get accurate solutions at reduced computational cost, we have also implemented goal-oriented adaptive mesh refinement. The numerical tests indicated that if highly accurate modeling results were required, the high-order FEM in combination with the goal-oriented local mesh refinement required less computational time and DoFs than the lowest order adaptive FEM.« less

Large-scale 3D geoelectromagnetic modeling using parallel adaptive high-order finite element method

DOE Office of Scientific and Technical Information (OSTI.GOV)

Grayver, Alexander V.; Kolev, Tzanio V.

Here, we have investigated the use of the adaptive high-order finite-element method (FEM) for geoelectromagnetic modeling. Because high-order FEM is challenging from the numerical and computational points of view, most published finite-element studies in geoelectromagnetics use the lowest order formulation. Solution of the resulting large system of linear equations poses the main practical challenge. We have developed a fully parallel and distributed robust and scalable linear solver based on the optimal block-diagonal and auxiliary space preconditioners. The solver was found to be efficient for high finite element orders, unstructured and nonconforming locally refined meshes, a wide range of frequencies, largemore » conductivity contrasts, and number of degrees of freedom (DoFs). Furthermore, the presented linear solver is in essence algebraic; i.e., it acts on the matrix-vector level and thus requires no information about the discretization, boundary conditions, or physical source used, making it readily efficient for a wide range of electromagnetic modeling problems. To get accurate solutions at reduced computational cost, we have also implemented goal-oriented adaptive mesh refinement. The numerical tests indicated that if highly accurate modeling results were required, the high-order FEM in combination with the goal-oriented local mesh refinement required less computational time and DoFs than the lowest order adaptive FEM.« less

Least-squares finite element solution of 3D incompressible Navier-Stokes problems

NASA Technical Reports Server (NTRS)

Jiang, Bo-Nan; Lin, Tsung-Liang; Povinelli, Louis A.

1992-01-01

Although significant progress has been made in the finite element solution of incompressible viscous flow problems. Development of more efficient methods is still needed before large-scale computation of 3D problems becomes feasible. This paper presents such a development. The most popular finite element method for the solution of incompressible Navier-Stokes equations is the classic Galerkin mixed method based on the velocity-pressure formulation. The mixed method requires the use of different elements to interpolate the velocity and the pressure in order to satisfy the Ladyzhenskaya-Babuska-Brezzi (LBB) condition for the existence of the solution. On the other hand, due to the lack of symmetry and positive definiteness of the linear equations arising from the mixed method, iterative methods for the solution of linear systems have been hard to come by. Therefore, direct Gaussian elimination has been considered the only viable method for solving the systems. But, for three-dimensional problems, the computer resources required by a direct method become prohibitively large. In order to overcome these difficulties, a least-squares finite element method (LSFEM) has been developed. This method is based on the first-order velocity-pressure-vorticity formulation. In this paper the LSFEM is extended for the solution of three-dimensional incompressible Navier-Stokes equations written in the following first-order quasi-linear velocity-pressure-vorticity formulation.

The Hantzsche-Wendt manifold in cosmic topology

NASA Astrophysics Data System (ADS)

Aurich, R.; Lustig, S.

2014-08-01

The Hantzsche-Wendt space is one of the 17 multiply connected spaces of the three-dimensional Euclidean space {{{E}}^{3}}. It is a compact and orientable manifold which can serve as a model for a spatial finite universe. Since it possesses much fewer matched back-to-back circle pairs on the cosmic microwave background (CMB) sky than the other compact flat spaces, it can escape the detection by a search for matched circle pairs. The suppression of temperature correlations C(\\vartheta ) on large angular scales on the CMB sky is studied. It is shown that the large-scale correlations are of the same order as for the three-torus topology but express a much larger variability. The Hantzsche-Wendt manifold provides a topological possibility with reduced large-angle correlations that can hide from searches for matched back-to-back circle pairs.

Stability analysis and backward whirl investigation of cracked rotors with time-varying stiffness

NASA Astrophysics Data System (ADS)

AL-Shudeifat, Mohammad A.

2015-07-01

The dynamic stability of dynamical systems with time-periodic stiffness is addressed here. Cracked rotor systems with time-periodic stiffness are well-known examples of such systems. Time-varying area moments of inertia at the cracked element cross-section of a cracked rotor have been used to formulate the time-periodic finite element stiffness matrix. The semi-infinite coefficient matrix obtained by applying the harmonic balance (HB) solution to the finite element (FE) equations of motion is employed here to study the dynamic stability of the system. Consequently, the sign of the determinant of a scaled version of a sub-matrix of this semi-infinite coefficient matrix at a finite number of harmonics in the HB solution is found to be sufficient for identifying the major unstable zones of the system in the parameter plane. Specifically, it is found that the negative determinant always corresponds to unstable zones in all of the systems considered. This approach is applied to a parametrically excited Mathieu's equation, a two degree-of-freedom linear time-periodic dynamical system, a cracked Jeffcott rotor and a finite element model of the cracked rotor system. Compared to the corresponding results obtained by Floquet's theory, the sign of the determinant of the scaled sub-matrix is found to be an efficient tool for identifying the major unstable zones of the linear time-periodic parametrically excited systems, especially large-scale FE systems. Moreover, it is found that the unstable zones for a FE cracked rotor with an open transverse crack model only appear at the backward whirl. The theoretical and experimental results have been found to agree well for verifying that the open crack model excites the backward whirl amplitudes at the critical backward whirling rotational speeds.

Development of a Aerothermoelastic-Acoustics Simulation Capability of Flight Vehicles

NASA Technical Reports Server (NTRS)

Gupta, K. K.; Choi, S. B.; Ibrahim, A.

2010-01-01

A novel numerical, finite element based analysis methodology is presented in this paper suitable for accurate and efficient simulation of practical, complex flight vehicles. An associated computer code, developed in this connection, is also described in some detail. Thermal effects of high speed flow obtained from a heat conduction analysis are incorporated in the modal analysis which in turn affects the unsteady flow arising out of interaction of elastic structures with the air. Numerical examples pertaining to representative problems are given in much detail testifying to the efficacy of the advocated techniques. This is a unique implementation of temperature effects in a finite element CFD based multidisciplinary simulation analysis capability involving large scale computations.

Fast time- and frequency-domain finite-element methods for electromagnetic analysis

NASA Astrophysics Data System (ADS)

Lee, Woochan

Fast electromagnetic analysis in time and frequency domain is of critical importance to the design of integrated circuits (IC) and other advanced engineering products and systems. Many IC structures constitute a very large scale problem in modeling and simulation, the size of which also continuously grows with the advancement of the processing technology. This results in numerical problems beyond the reach of existing most powerful computational resources. Different from many other engineering problems, the structure of most ICs is special in the sense that its geometry is of Manhattan type and its dielectrics are layered. Hence, it is important to develop structure-aware algorithms that take advantage of the structure specialties to speed up the computation. In addition, among existing time-domain methods, explicit methods can avoid solving a matrix equation. However, their time step is traditionally restricted by the space step for ensuring the stability of a time-domain simulation. Therefore, making explicit time-domain methods unconditionally stable is important to accelerate the computation. In addition to time-domain methods, frequency-domain methods have suffered from an indefinite system that makes an iterative solution difficult to converge fast. The first contribution of this work is a fast time-domain finite-element algorithm for the analysis and design of very large-scale on-chip circuits. The structure specialty of on-chip circuits such as Manhattan geometry and layered permittivity is preserved in the proposed algorithm. As a result, the large-scale matrix solution encountered in the 3-D circuit analysis is turned into a simple scaling of the solution of a small 1-D matrix, which can be obtained in linear (optimal) complexity with negligible cost. Furthermore, the time step size is not sacrificed, and the total number of time steps to be simulated is also significantly reduced, thus achieving a total cost reduction in CPU time. The second contribution is a new method for making an explicit time-domain finite-element method (TDFEM) unconditionally stable for general electromagnetic analysis. In this method, for a given time step, we find the unstable modes that are the root cause of instability, and deduct them directly from the system matrix resulting from a TDFEM based analysis. As a result, an explicit TDFEM simulation is made stable for an arbitrarily large time step irrespective of the space step. The third contribution is a new method for full-wave applications from low to very high frequencies in a TDFEM based on matrix exponential. In this method, we directly deduct the eigenmodes having large eigenvalues from the system matrix, thus achieving a significantly increased time step in the matrix exponential based TDFEM. The fourth contribution is a new method for transforming the indefinite system matrix of a frequency-domain FEM to a symmetric positive definite one. We deduct non-positive definite component directly from the system matrix resulting from a frequency-domain FEM-based analysis. The resulting new representation of the finite-element operator ensures an iterative solution to converge in a small number of iterations. We then add back the non-positive definite component to synthesize the original solution with negligible cost.

Multi-scale Methods in Quantum Field Theory

NASA Astrophysics Data System (ADS)

Polyzou, W. N.; Michlin, Tracie; Bulut, Fatih

2018-05-01

Daubechies wavelets are used to make an exact multi-scale decomposition of quantum fields. For reactions that involve a finite energy that take place in a finite volume, the number of relevant quantum mechanical degrees of freedom is finite. The wavelet decomposition has natural resolution and volume truncations that can be used to isolate the relevant degrees of freedom. The application of flow equation methods to construct effective theories that decouple coarse and fine scale degrees of freedom is examined.

Nonlocal and Mixed-Locality Multiscale Finite Element Methods

DOE PAGES

Costa, Timothy B.; Bond, Stephen D.; Littlewood, David J.

2018-03-27

In many applications the resolution of small-scale heterogeneities remains a significant hurdle to robust and reliable predictive simulations. In particular, while material variability at the mesoscale plays a fundamental role in processes such as material failure, the resolution required to capture mechanisms at this scale is often computationally intractable. Multiscale methods aim to overcome this difficulty through judicious choice of a subscale problem and a robust manner of passing information between scales. One promising approach is the multiscale finite element method, which increases the fidelity of macroscale simulations by solving lower-scale problems that produce enriched multiscale basis functions. Here, inmore » this study, we present the first work toward application of the multiscale finite element method to the nonlocal peridynamic theory of solid mechanics. This is achieved within the context of a discontinuous Galerkin framework that facilitates the description of material discontinuities and does not assume the existence of spatial derivatives. Analysis of the resulting nonlocal multiscale finite element method is achieved using the ambulant Galerkin method, developed here with sufficient generality to allow for application to multiscale finite element methods for both local and nonlocal models that satisfy minimal assumptions. Finally, we conclude with preliminary results on a mixed-locality multiscale finite element method in which a nonlocal model is applied at the fine scale and a local model at the coarse scale.« less

Nonlocal and Mixed-Locality Multiscale Finite Element Methods

DOE Office of Scientific and Technical Information (OSTI.GOV)

Costa, Timothy B.; Bond, Stephen D.; Littlewood, David J.

In many applications the resolution of small-scale heterogeneities remains a significant hurdle to robust and reliable predictive simulations. In particular, while material variability at the mesoscale plays a fundamental role in processes such as material failure, the resolution required to capture mechanisms at this scale is often computationally intractable. Multiscale methods aim to overcome this difficulty through judicious choice of a subscale problem and a robust manner of passing information between scales. One promising approach is the multiscale finite element method, which increases the fidelity of macroscale simulations by solving lower-scale problems that produce enriched multiscale basis functions. Here, inmore » this study, we present the first work toward application of the multiscale finite element method to the nonlocal peridynamic theory of solid mechanics. This is achieved within the context of a discontinuous Galerkin framework that facilitates the description of material discontinuities and does not assume the existence of spatial derivatives. Analysis of the resulting nonlocal multiscale finite element method is achieved using the ambulant Galerkin method, developed here with sufficient generality to allow for application to multiscale finite element methods for both local and nonlocal models that satisfy minimal assumptions. Finally, we conclude with preliminary results on a mixed-locality multiscale finite element method in which a nonlocal model is applied at the fine scale and a local model at the coarse scale.« less

Dynamic analysis of a needle insertion for soft materials: Arbitrary Lagrangian-Eulerian-based three-dimensional finite element analysis.

PubMed

Yamaguchi, Satoshi; Tsutsui, Kihei; Satake, Koji; Morikawa, Shigehiro; Shirai, Yoshiaki; Tanaka, Hiromi T

2014-10-01

Our goal was to develop a three-dimensional finite element model that enables dynamic analysis of needle insertion for soft materials. To demonstrate large deformation and fracture, we used the arbitrary Lagrangian-Eulerian (ALE) method for fluid analysis. We performed ALE-based finite element analysis for 3% agar gel and three types of copper needle with bevel tips. To evaluate simulation results, we compared the needle deflection and insertion force with corresponding experimental results acquired with a uniaxial manipulator. We studied the shear stress distribution of agar gel on various time scales. For 30°, 45°, and 60°, differences in deflections of each needle between both sets of results were 2.424, 2.981, and 3.737mm, respectively. For the insertion force, there was no significant difference for mismatching area error (p<0.05) between simulation and experimental results. Our results have the potential to be a stepping stone to develop pre-operative surgical planning to estimate an optimal needle insertion path for MR image-guided microwave coagulation therapy and for analyzing large deformation and fracture in biological tissues. Copyright © 2014 Elsevier Ltd. All rights reserved.

A fast solver for the Helmholtz equation based on the generalized multiscale finite-element method

NASA Astrophysics Data System (ADS)

Fu, Shubin; Gao, Kai

2017-11-01

Conventional finite-element methods for solving the acoustic-wave Helmholtz equation in highly heterogeneous media usually require finely discretized mesh to represent the medium property variations with sufficient accuracy. Computational costs for solving the Helmholtz equation can therefore be considerably expensive for complicated and large geological models. Based on the generalized multiscale finite-element theory, we develop a novel continuous Galerkin method to solve the Helmholtz equation in acoustic media with spatially variable velocity and mass density. Instead of using conventional polynomial basis functions, we use multiscale basis functions to form the approximation space on the coarse mesh. The multiscale basis functions are obtained from multiplying the eigenfunctions of a carefully designed local spectral problem with an appropriate multiscale partition of unity. These multiscale basis functions can effectively incorporate the characteristics of heterogeneous media's fine-scale variations, thus enable us to obtain accurate solution to the Helmholtz equation without directly solving the large discrete system formed on the fine mesh. Numerical results show that our new solver can significantly reduce the dimension of the discrete Helmholtz equation system, and can also obviously reduce the computational time.

A Parallel, Finite-Volume Algorithm for Large-Eddy Simulation of Turbulent Flows

NASA Technical Reports Server (NTRS)

Bui, Trong T.

1999-01-01

A parallel, finite-volume algorithm has been developed for large-eddy simulation (LES) of compressible turbulent flows. This algorithm includes piecewise linear least-square reconstruction, trilinear finite-element interpolation, Roe flux-difference splitting, and second-order MacCormack time marching. Parallel implementation is done using the message-passing programming model. In this paper, the numerical algorithm is described. To validate the numerical method for turbulence simulation, LES of fully developed turbulent flow in a square duct is performed for a Reynolds number of 320 based on the average friction velocity and the hydraulic diameter of the duct. Direct numerical simulation (DNS) results are available for this test case, and the accuracy of this algorithm for turbulence simulations can be ascertained by comparing the LES solutions with the DNS results. The effects of grid resolution, upwind numerical dissipation, and subgrid-scale dissipation on the accuracy of the LES are examined. Comparison with DNS results shows that the standard Roe flux-difference splitting dissipation adversely affects the accuracy of the turbulence simulation. For accurate turbulence simulations, only 3-5 percent of the standard Roe flux-difference splitting dissipation is needed.

Fast Bound Methods for Large Scale Simulation with Application for Engineering Optimization

NASA Technical Reports Server (NTRS)

Patera, Anthony T.; Peraire, Jaime; Zang, Thomas A. (Technical Monitor)

2002-01-01

In this work, we have focused on fast bound methods for large scale simulation with application for engineering optimization. The emphasis is on the development of techniques that provide both very fast turnaround and a certificate of Fidelity; these attributes ensure that the results are indeed relevant to - and trustworthy within - the engineering context. The bound methodology which underlies this work has many different instantiations: finite element approximation; iterative solution techniques; and reduced-basis (parameter) approximation. In this grant we have, in fact, treated all three, but most of our effort has been concentrated on the first and third. We describe these below briefly - but with a pointer to an Appendix which describes, in some detail, the current "state of the art."

Fluctuations, ghosts, and the cosmological constant

DOE Office of Scientific and Technical Information (OSTI.GOV)

Hirayama, T.; Holdom, B.

2004-12-15

For a large region of parameter space involving the cosmological constant and mass parameters, we discuss fluctuating spacetime solutions that are effectively Minkowskian on large time and distance scales. Rapid, small amplitude oscillations in the scale factor have a frequency determined by the size of a negative cosmological constant. A field with modes of negative energy is required. If it is gravity that induces a coupling between the ghostlike and normal fields, we find that this results in stochastic rather than unstable behavior. The negative energy modes may also permit the existence of Lorentz invariant fluctuating solutions of finite energymore » density. Finally we consider higher derivative gravity theories and find oscillating metric solutions in these theories without the addition of other fields.« less

Thermal Stress FE Analysis of Large-scale Gas Holder Under Sunshine Temperature Field

NASA Astrophysics Data System (ADS)

Li, Jingyu; Yang, Ranxia; Wang, Hehui

2018-03-01

The temperature field and thermal stress of Man type gas holder is simulated by using the theory of sunshine temperature field based on ASHRAE clear-sky model and the finite element method. The distribution of surface temperature and thermal stress of gas holder under the given sunshine condition is obtained. The results show that the thermal stress caused by sunshine can be identified as one of the important factors for the failure of local cracked oil leakage which happens on the sunny side before on the shady side. Therefore, it is of great importance to consider the sunshine thermal load in the stress analysis, design and operation of large-scale steel structures such as the gas holder.

Nucleation versus percolation: Scaling criterion for failure in disordered solids

NASA Astrophysics Data System (ADS)

Biswas, Soumyajyoti; Roy, Subhadeep; Ray, Purusattam

2015-05-01

One of the major factors governing the mode of failure in disordered solids is the effective range R over which the stress field is modified following a local rupture event. In a random fiber bundle model, considered as a prototype of disordered solids, we show that the failure mode is nucleation dominated in the large system size limit, as long as R scales slower than Lζ, with ζ =2 /3 . For a faster increase in R , the failure properties are dominated by the mean-field critical point, where the damages are uncorrelated in space. In that limit, the precursory avalanches of all sizes are obtained even in the large system size limit. We expect these results to be valid for systems with finite (normalizable) disorder.

Rolling up of Large-scale Laminar Vortex Ring from Synthetic Jet Impinging onto a Wall

NASA Astrophysics Data System (ADS)

Xu, Yang; Pan, Chong; Wang, Jinjun; Flow Control Lab Team

2015-11-01

Vortex ring impinging onto a wall exhibits a wide range of interesting behaviors. The present work devotes to an experimental investigation of a series of small-scale vortex rings impinging onto a wall. These laminar vortex rings were generated by a piston-cylinder driven synthetic jet in a water tank. Laser Induced Fluorescence (LIF) and Particle Image Velocimetry (PIV) were used for flow visualization/quantification. A special scenario of vortical dynamic was found for the first time: a large-scale laminar vortex ring is formed above the wall, on the outboard side of the jet. This large-scale structure is stable in topology pattern, and continuously grows in strength and size along time, thus dominating dynamics of near wall flow. To quantify its spatial/temporal characteristics, Finite-Time Lyapunov Exponent (FTLE) fields were calculated from PIV velocity fields. It is shown that the flow pattern revealed by FTLE fields is similar to the visualization. The size of this large-scale vortex ring can be up to one-order larger than the jet vortices, and its rolling-up speed and entrainment strength was correlated to constant vorticity flux issued from the jet. This work was supported by the National Natural Science Foundation of China (Grants No.11202015 and 11327202).

Rapid finite-fault inversions in Southern California using Cybershake Green's functions

NASA Astrophysics Data System (ADS)

Thio, H. K.; Polet, J.

2017-12-01

We have developed a system for rapid finite fault inversion for intermediate and large Southern California earthquakes using local, regional and teleseismic seismic waveforms as well as geodetic data. For modeling the local seismic data, we use 3D Green's functions from the Cybershake project, which were made available to us courtesy of the Southern California Earthquake Center (SCEC). The use of 3D Green's functions allows us to extend the inversion to higher frequency waveform data and smaller magnitude earthquakes, in addition to achieving improved solutions in general. The ultimate aim of this work is to develop the ability to provide high quality finite fault models within a few hours after any damaging earthquake in Southern California, so that they may be used as input to various post-earthquake assessment tools such as ShakeMap, as well as by the scientific community and other interested parties. Additionally, a systematic determination of finite fault models has value as a resource for scientific studies on detailed earthquake processes, such as rupture dynamics and scaling relations. We are using an established least-squares finite fault inversion method that has been applied extensively both on large as well as smaller regional earthquakes, in conjunction with the 3D Green's functions, where available, as well as 1D Green's functions for areas for which the Cybershake library has not yet been developed. We are carrying out validation and calibration of this system using significant earthquakes that have occurred in the region over the last two decades, spanning a range of locations and magnitudes (5.4 and higher).

Effects of a finite outer scale on the measurement of atmospheric-turbulence statistics with a Hartmann wave-front sensor.

PubMed

Feng, Shen; Wenhan, Jiang

2002-06-10

Phase-structure and aperture-averaged slope-correlated functions with a finite outer scale are derived based on the Taylor hypothesis and a generalized spectrum, such as the von Kármán modal. The effects of the finite outer scale on measuring and determining the character of atmospheric-turbulence statistics are shown especially for an approximately 4-m class telescope and subaperture. The phase structure function and atmospheric coherent length based on the Kolmogorov model are approximations of the formalism we have derived. The analysis shows that it cannot be determined whether the deviation from the power-law parameter of Kolmogorov turbulence is caused by real variations of the spectrum or by the effect of the finite outer scale.

SQDFT: Spectral Quadrature method for large-scale parallel O ( N ) Kohn–Sham calculations at high temperature

DOE Office of Scientific and Technical Information (OSTI.GOV)

Suryanarayana, Phanish; Pratapa, Phanisri P.; Sharma, Abhiraj

We present SQDFT: a large-scale parallel implementation of the Spectral Quadrature (SQ) method formore » $$\\mathscr{O}(N)$$ Kohn–Sham Density Functional Theory (DFT) calculations at high temperature. Specifically, we develop an efficient and scalable finite-difference implementation of the infinite-cell Clenshaw–Curtis SQ approach, in which results for the infinite crystal are obtained by expressing quantities of interest as bilinear forms or sums of bilinear forms, that are then approximated by spatially localized Clenshaw–Curtis quadrature rules. We demonstrate the accuracy of SQDFT by showing systematic convergence of energies and atomic forces with respect to SQ parameters to reference diagonalization results, and convergence with discretization to established planewave results, for both metallic and insulating systems. Here, we further demonstrate that SQDFT achieves excellent strong and weak parallel scaling on computer systems consisting of tens of thousands of processors, with near perfect $$\\mathscr{O}(N)$$ scaling with system size and wall times as low as a few seconds per self-consistent field iteration. Finally, we verify the accuracy of SQDFT in large-scale quantum molecular dynamics simulations of aluminum at high temperature.« less

Large-scale optimization-based non-negative computational framework for diffusion equations: Parallel implementation and performance studies

DOE Office of Scientific and Technical Information (OSTI.GOV)

Chang, Justin; Karra, Satish; Nakshatrala, Kalyana B.

It is well-known that the standard Galerkin formulation, which is often the formulation of choice under the finite element method for solving self-adjoint diffusion equations, does not meet maximum principles and the non-negative constraint for anisotropic diffusion equations. Recently, optimization-based methodologies that satisfy maximum principles and the non-negative constraint for steady-state and transient diffusion-type equations have been proposed. To date, these methodologies have been tested only on small-scale academic problems. The purpose of this paper is to systematically study the performance of the non-negative methodology in the context of high performance computing (HPC). PETSc and TAO libraries are, respectively, usedmore » for the parallel environment and optimization solvers. For large-scale problems, it is important for computational scientists to understand the computational performance of current algorithms available in these scientific libraries. The numerical experiments are conducted on the state-of-the-art HPC systems, and a single-core performance model is used to better characterize the efficiency of the solvers. Furthermore, our studies indicate that the proposed non-negative computational framework for diffusion-type equations exhibits excellent strong scaling for real-world large-scale problems.« less

SQDFT: Spectral Quadrature method for large-scale parallel O ( N ) Kohn–Sham calculations at high temperature

DOE PAGES

Suryanarayana, Phanish; Pratapa, Phanisri P.; Sharma, Abhiraj; ...

2017-12-07

We present SQDFT: a large-scale parallel implementation of the Spectral Quadrature (SQ) method formore » $$\\mathscr{O}(N)$$ Kohn–Sham Density Functional Theory (DFT) calculations at high temperature. Specifically, we develop an efficient and scalable finite-difference implementation of the infinite-cell Clenshaw–Curtis SQ approach, in which results for the infinite crystal are obtained by expressing quantities of interest as bilinear forms or sums of bilinear forms, that are then approximated by spatially localized Clenshaw–Curtis quadrature rules. We demonstrate the accuracy of SQDFT by showing systematic convergence of energies and atomic forces with respect to SQ parameters to reference diagonalization results, and convergence with discretization to established planewave results, for both metallic and insulating systems. Here, we further demonstrate that SQDFT achieves excellent strong and weak parallel scaling on computer systems consisting of tens of thousands of processors, with near perfect $$\\mathscr{O}(N)$$ scaling with system size and wall times as low as a few seconds per self-consistent field iteration. Finally, we verify the accuracy of SQDFT in large-scale quantum molecular dynamics simulations of aluminum at high temperature.« less

Large-scale optimization-based non-negative computational framework for diffusion equations: Parallel implementation and performance studies

DOE PAGES

Chang, Justin; Karra, Satish; Nakshatrala, Kalyana B.

2016-07-26

It is well-known that the standard Galerkin formulation, which is often the formulation of choice under the finite element method for solving self-adjoint diffusion equations, does not meet maximum principles and the non-negative constraint for anisotropic diffusion equations. Recently, optimization-based methodologies that satisfy maximum principles and the non-negative constraint for steady-state and transient diffusion-type equations have been proposed. To date, these methodologies have been tested only on small-scale academic problems. The purpose of this paper is to systematically study the performance of the non-negative methodology in the context of high performance computing (HPC). PETSc and TAO libraries are, respectively, usedmore » for the parallel environment and optimization solvers. For large-scale problems, it is important for computational scientists to understand the computational performance of current algorithms available in these scientific libraries. The numerical experiments are conducted on the state-of-the-art HPC systems, and a single-core performance model is used to better characterize the efficiency of the solvers. Furthermore, our studies indicate that the proposed non-negative computational framework for diffusion-type equations exhibits excellent strong scaling for real-world large-scale problems.« less

Faithful communication Hamiltonian in photonic lattices

NASA Astrophysics Data System (ADS)

Bellec, Matthieu; Nikolopoulos, Georgios M.; Tzortzakis, Stelios

2012-11-01

Faithful communication is a necessary precondition for large scale all-optical networking and quantum information processing. Related theoretical investigations in different areas of physics have led to various proposals in which finite discrete lattices are used as channels for short-distance communication tasks. Here, in the framework of femtosecond-laser-written waveguide arrays, we present the first experimental realization of such a channel with judiciously engineered couplings.

On strong homogeneity of a class of global optimization algorithms working with infinite and infinitesimal scales

NASA Astrophysics Data System (ADS)

Sergeyev, Yaroslav D.; Kvasov, Dmitri E.; Mukhametzhanov, Marat S.

2018-06-01

The necessity to find the global optimum of multiextremal functions arises in many applied problems where finding local solutions is insufficient. One of the desirable properties of global optimization methods is strong homogeneity meaning that a method produces the same sequences of points where the objective function is evaluated independently both of multiplication of the function by a scaling constant and of adding a shifting constant. In this paper, several aspects of global optimization using strongly homogeneous methods are considered. First, it is shown that even if a method possesses this property theoretically, numerically very small and large scaling constants can lead to ill-conditioning of the scaled problem. Second, a new class of global optimization problems where the objective function can have not only finite but also infinite or infinitesimal Lipschitz constants is introduced. Third, the strong homogeneity of several Lipschitz global optimization algorithms is studied in the framework of the Infinity Computing paradigm allowing one to work numerically with a variety of infinities and infinitesimals. Fourth, it is proved that a class of efficient univariate methods enjoys this property for finite, infinite and infinitesimal scaling and shifting constants. Finally, it is shown that in certain cases the usage of numerical infinities and infinitesimals can avoid ill-conditioning produced by scaling. Numerical experiments illustrating theoretical results are described.

Localization and elasticity in entangled polymer liquids as a mesoscopic glass transition

NASA Astrophysics Data System (ADS)

Schweizer, Kenneth

2010-03-01

The reptation-tube model is widely viewed as the correct zeroth order model for entangled linear polymer dynamics under quiescent conditions. Its key ansatz is the existence of a mesoscopic dynamical length scale that prohibits transverse chain motion beyond a tube diameter of order 3-10 nm. However, the theory is phenomenological and lacks a microscopic foundation, and many fundamental questions remain unanswered. These include: (i) where does the confining tube field come from and can it be derived from statistical mechanics? (ii) what is the microscopic origin of the magnitude, and power law scaling with concentration and packing length, of the plateau shear modulus? (iii) is the tube diameter time-dependent? (iv) does the confinement field contribute to elasticity ? (v) do entanglement constraints have a finite strength? Building on our new force-level theories for the dynamical crossover and activated barrier hopping in glassy colloidal suspensions and polymer melts, a first principles self-consistent theory has been developed for entangled polymers. Its basic physical elements, and initial results that address the questions posed above, will be presented. The key idea is that beyond a critical degree of polymerization, the chain connectivity and excluded volume induced intermolecular correlation hole drives temporary localization on an intermediate length scale resulting in a mesoscopic ``ideal kinetic glass transition.'' Large scale isotropic motion is effectively quenched due to the emergence of chain length dependent entropic barriers. However, the barrier height is not infinite, resulting in softening of harmonic localization at large displacements, temporal increase of the confining length scale, and a finite strength of entanglement constraints which can be destroyed by applied stress.

On mechanics and material length scales of failure in heterogeneous interfaces using a finite strain high performance solver

NASA Astrophysics Data System (ADS)

Mosby, Matthew; Matouš, Karel

2015-12-01

Three-dimensional simulations capable of resolving the large range of spatial scales, from the failure-zone thickness up to the size of the representative unit cell, in damage mechanics problems of particle reinforced adhesives are presented. We show that resolving this wide range of scales in complex three-dimensional heterogeneous morphologies is essential in order to apprehend fracture characteristics, such as strength, fracture toughness and shape of the softening profile. Moreover, we show that computations that resolve essential physical length scales capture the particle size-effect in fracture toughness, for example. In the vein of image-based computational materials science, we construct statistically optimal unit cells containing hundreds to thousands of particles. We show that these statistically representative unit cells are capable of capturing the first- and second-order probability functions of a given data-source with better accuracy than traditional inclusion packing techniques. In order to accomplish these large computations, we use a parallel multiscale cohesive formulation and extend it to finite strains including damage mechanics. The high-performance parallel computational framework is executed on up to 1024 processing cores. A mesh convergence and a representative unit cell study are performed. Quantifying the complex damage patterns in simulations consisting of tens of millions of computational cells and millions of highly nonlinear equations requires data-mining the parallel simulations, and we propose two damage metrics to quantify the damage patterns. A detailed study of volume fraction and filler size on the macroscopic traction-separation response of heterogeneous adhesives is presented.

Towards a theory of cortical columns: From spiking neurons to interacting neural populations of finite size

PubMed Central

Gerstner, Wulfram

2017-01-01

Neural population equations such as neural mass or field models are widely used to study brain activity on a large scale. However, the relation of these models to the properties of single neurons is unclear. Here we derive an equation for several interacting populations at the mesoscopic scale starting from a microscopic model of randomly connected generalized integrate-and-fire neuron models. Each population consists of 50–2000 neurons of the same type but different populations account for different neuron types. The stochastic population equations that we find reveal how spike-history effects in single-neuron dynamics such as refractoriness and adaptation interact with finite-size fluctuations on the population level. Efficient integration of the stochastic mesoscopic equations reproduces the statistical behavior of the population activities obtained from microscopic simulations of a full spiking neural network model. The theory describes nonlinear emergent dynamics such as finite-size-induced stochastic transitions in multistable networks and synchronization in balanced networks of excitatory and inhibitory neurons. The mesoscopic equations are employed to rapidly integrate a model of a cortical microcircuit consisting of eight neuron types, which allows us to predict spontaneous population activities as well as evoked responses to thalamic input. Our theory establishes a general framework for modeling finite-size neural population dynamics based on single cell and synapse parameters and offers an efficient approach to analyzing cortical circuits and computations. PMID:28422957

Sequestering the standard model vacuum energy.

PubMed

Kaloper, Nemanja; Padilla, Antonio

2014-03-07

We propose a very simple reformulation of general relativity, which completely sequesters from gravity all of the vacuum energy from a matter sector, including all loop corrections and renders all contributions from phase transitions automatically small. The idea is to make the dimensional parameters in the matter sector functionals of the 4-volume element of the Universe. For them to be nonzero, the Universe should be finite in spacetime. If this matter is the standard model of particle physics, our mechanism prevents any of its vacuum energy, classical or quantum, from sourcing the curvature of the Universe. The mechanism is consistent with the large hierarchy between the Planck scale, electroweak scale, and curvature scale, and early Universe cosmology, including inflation. Consequences of our proposal are that the vacuum curvature of an old and large universe is not zero, but very small, that w(DE) ≃ -1 is a transient, and that the Universe will collapse in the future.

Turbulent Superstructures in Rayleigh-Bénard convection at different Prandtl number

NASA Astrophysics Data System (ADS)

Schumacher, Jörg; Pandey, Ambrish; Ender, Martin; Westermann, Rüdiger; Scheel, Janet D.

2017-11-01

Large-scale patterns of the temperature and velocity field in horizontally extended cells can be considered as turbulent superstructures in Rayleigh-Bénard convection (RBC). These structures are obtained once the turbulent fluctuations are removed by a finite-time average. Their existence has been reported for example in Bailon-Cuba et al.. This large-scale order obeys a strong similarity with the well-studied patterns from the weakly nonlinear regime at lower Rayleigh number in RBC. In the present work we analyze the superstructures of RBC at different Prandtl number for Prandtl values between Pr = 0.005 for liquid sodium and 7 for water. The characteristic evolution time scales, the typical spatial extension of the rolls and the properties of the defects of the resulting superstructure patterns are analyzed. Data are obtained from well-resolved spectral element direct numerical simulations. The work is supported by the Priority Programme SPP 1881 of the Deutsche Forschungsgemeinschaft.

Universal scaling for the quantum Ising chain with a classical impurity

NASA Astrophysics Data System (ADS)

Apollaro, Tony J. G.; Francica, Gianluca; Giuliano, Domenico; Falcone, Giovanni; Palma, G. Massimo; Plastina, Francesco

2017-10-01

We study finite-size scaling for the magnetic observables of an impurity residing at the end point of an open quantum Ising chain with transverse magnetic field, realized by locally rescaling the field by a factor μ ≠1 . In the homogeneous chain limit at μ =1 , we find the expected finite-size scaling for the longitudinal impurity magnetization, with no specific scaling for the transverse magnetization. At variance, in the classical impurity limit μ =0 , we recover finite scaling for the longitudinal magnetization, while the transverse one basically does not scale. We provide both analytic approximate expressions for the magnetization and the susceptibility as well as numerical evidences for the scaling behavior. At intermediate values of μ , finite-size scaling is violated, and we provide a possible explanation of this result in terms of the appearance of a second, impurity-related length scale. Finally, by going along the standard quantum-to-classical mapping between statistical models, we derive the classical counterpart of the quantum Ising chain with an end-point impurity as a classical Ising model on a square lattice wrapped on a half-infinite cylinder, with the links along the first circle modified as a function of μ .

Finite-size scaling of survival probability in branching processes

NASA Astrophysics Data System (ADS)

Garcia-Millan, Rosalba; Font-Clos, Francesc; Corral, Álvaro

2015-04-01

Branching processes pervade many models in statistical physics. We investigate the survival probability of a Galton-Watson branching process after a finite number of generations. We derive analytically the existence of finite-size scaling for the survival probability as a function of the control parameter and the maximum number of generations, obtaining the critical exponents as well as the exact scaling function, which is G (y ) =2 y ey /(ey-1 ) , with y the rescaled distance to the critical point. Our findings are valid for any branching process of the Galton-Watson type, independently of the distribution of the number of offspring, provided its variance is finite. This proves the universal behavior of the finite-size effects in branching processes, including the universality of the metric factors. The direct relation to mean-field percolation is also discussed.

Summary Report of Working Group 2: Computation

NASA Astrophysics Data System (ADS)

Stoltz, P. H.; Tsung, R. S.

2009-01-01

The working group on computation addressed three physics areas: (i) plasma-based accelerators (laser-driven and beam-driven), (ii) high gradient structure-based accelerators, and (iii) electron beam sources and transport [1]. Highlights of the talks in these areas included new models of breakdown on the microscopic scale, new three-dimensional multipacting calculations with both finite difference and finite element codes, and detailed comparisons of new electron gun models with standard models such as PARMELA. The group also addressed two areas of advances in computation: (i) new algorithms, including simulation in a Lorentz-boosted frame that can reduce computation time orders of magnitude, and (ii) new hardware architectures, like graphics processing units and Cell processors that promise dramatic increases in computing power. Highlights of the talks in these areas included results from the first large-scale parallel finite element particle-in-cell code (PIC), many order-of-magnitude speedup of, and details of porting the VPIC code to the Roadrunner supercomputer. The working group featured two plenary talks, one by Brian Albright of Los Alamos National Laboratory on the performance of the VPIC code on the Roadrunner supercomputer, and one by David Bruhwiler of Tech-X Corporation on recent advances in computation for advanced accelerators. Highlights of the talk by Albright included the first one trillion particle simulations, a sustained performance of 0.3 petaflops, and an eight times speedup of science calculations, including back-scatter in laser-plasma interaction. Highlights of the talk by Bruhwiler included simulations of 10 GeV accelerator laser wakefield stages including external injection, new developments in electromagnetic simulations of electron guns using finite difference and finite element approaches.

Summary Report of Working Group 2: Computation

DOE Office of Scientific and Technical Information (OSTI.GOV)

Stoltz, P. H.; Tsung, R. S.

2009-01-22

The working group on computation addressed three physics areas: (i) plasma-based accelerators (laser-driven and beam-driven), (ii) high gradient structure-based accelerators, and (iii) electron beam sources and transport [1]. Highlights of the talks in these areas included new models of breakdown on the microscopic scale, new three-dimensional multipacting calculations with both finite difference and finite element codes, and detailed comparisons of new electron gun models with standard models such as PARMELA. The group also addressed two areas of advances in computation: (i) new algorithms, including simulation in a Lorentz-boosted frame that can reduce computation time orders of magnitude, and (ii) newmore » hardware architectures, like graphics processing units and Cell processors that promise dramatic increases in computing power. Highlights of the talks in these areas included results from the first large-scale parallel finite element particle-in-cell code (PIC), many order-of-magnitude speedup of, and details of porting the VPIC code to the Roadrunner supercomputer. The working group featured two plenary talks, one by Brian Albright of Los Alamos National Laboratory on the performance of the VPIC code on the Roadrunner supercomputer, and one by David Bruhwiler of Tech-X Corporation on recent advances in computation for advanced accelerators. Highlights of the talk by Albright included the first one trillion particle simulations, a sustained performance of 0.3 petaflops, and an eight times speedup of science calculations, including back-scatter in laser-plasma interaction. Highlights of the talk by Bruhwiler included simulations of 10 GeV accelerator laser wakefield stages including external injection, new developments in electromagnetic simulations of electron guns using finite difference and finite element approaches.« less

Improving sub-grid scale accuracy of boundary features in regional finite-difference models

USGS Publications Warehouse

Panday, Sorab; Langevin, Christian D.

2012-01-01

As an alternative to grid refinement, the concept of a ghost node, which was developed for nested grid applications, has been extended towards improving sub-grid scale accuracy of flow to conduits, wells, rivers or other boundary features that interact with a finite-difference groundwater flow model. The formulation is presented for correcting the regular finite-difference groundwater flow equations for confined and unconfined cases, with or without Newton Raphson linearization of the nonlinearities, to include the Ghost Node Correction (GNC) for location displacement. The correction may be applied on the right-hand side vector for a symmetric finite-difference Picard implementation, or on the left-hand side matrix for an implicit but asymmetric implementation. The finite-difference matrix connectivity structure may be maintained for an implicit implementation by only selecting contributing nodes that are a part of the finite-difference connectivity. Proof of concept example problems are provided to demonstrate the improved accuracy that may be achieved through sub-grid scale corrections using the GNC schemes.

OWL: A scalable Monte Carlo simulation suite for finite-temperature study of materials

NASA Astrophysics Data System (ADS)

Li, Ying Wai; Yuk, Simuck F.; Cooper, Valentino R.; Eisenbach, Markus; Odbadrakh, Khorgolkhuu

The OWL suite is a simulation package for performing large-scale Monte Carlo simulations. Its object-oriented, modular design enables it to interface with various external packages for energy evaluations. It is therefore applicable to study the finite-temperature properties for a wide range of systems: from simple classical spin models to materials where the energy is evaluated by ab initio methods. This scheme not only allows for the study of thermodynamic properties based on first-principles statistical mechanics, it also provides a means for massive, multi-level parallelism to fully exploit the capacity of modern heterogeneous computer architectures. We will demonstrate how improved strong and weak scaling is achieved by employing novel, parallel and scalable Monte Carlo algorithms, as well as the applications of OWL to a few selected frontier materials research problems. This research was supported by the Office of Science of the Department of Energy under contract DE-AC05-00OR22725.

Two-point correlation function in systems with van der Waals type interaction

NASA Astrophysics Data System (ADS)

Dantchev, D.

2001-09-01

The behavior of the bulk two-point correlation function G( r; T| d ) in d-dimensional system with van der Waals type interactions is investigated and its consequences on the finite-size scaling properties of the susceptibility in such finite systems with periodic boundary conditions is discussed within mean-spherical model which is an example of Ornstein and Zernike type theory. The interaction is supposed to decay at large distances r as r - (d + σ), with 2 < d < 4, 2 < σ < 4 and d + σ≤6. It is shown that G( r; T| d ) decays as r - (d - 2) for 1 ≪ r≪ξ, exponentially for ξ≪ r≪ r *, where r * = (σ - 2)ξlnξ, and again in a power law as r - (d + σ) for r≫ r *. The analytical form of the leading-order scaling function of G( r; T| d ) in any of these regimes is derived.

Laser-induced plasmonic colours on metals

NASA Astrophysics Data System (ADS)

Guay, Jean-Michel; Calà Lesina, Antonino; Côté, Guillaume; Charron, Martin; Poitras, Daniel; Ramunno, Lora; Berini, Pierre; Weck, Arnaud

2017-07-01

Plasmonic resonances in metallic nanoparticles have been used since antiquity to colour glasses. The use of metal nanostructures for surface colourization has attracted considerable interest following recent developments in plasmonics. However, current top-down colourization methods are not ideally suited to large-scale industrial applications. Here we use a bottom-up approach where picosecond laser pulses can produce a full palette of non-iridescent colours on silver, gold, copper and aluminium. We demonstrate the process on silver coins weighing up to 5 kg and bearing large topographic variations (~1.5 cm). We find that colours are related to a single parameter, the total accumulated fluence, making the process suitable for high-throughput industrial applications. Statistical image analyses of laser-irradiated surfaces reveal various nanoparticle size distributions. Large-scale finite-difference time-domain computations based on these nanoparticle distributions reproduce trends seen in reflectance measurements, and demonstrate the key role of plasmonic resonances in colour formation.

Laser-induced plasmonic colours on metals

PubMed Central

Guay, Jean-Michel; Calà Lesina, Antonino; Côté, Guillaume; Charron, Martin; Poitras, Daniel; Ramunno, Lora; Berini, Pierre; Weck, Arnaud

2017-01-01

Plasmonic resonances in metallic nanoparticles have been used since antiquity to colour glasses. The use of metal nanostructures for surface colourization has attracted considerable interest following recent developments in plasmonics. However, current top-down colourization methods are not ideally suited to large-scale industrial applications. Here we use a bottom-up approach where picosecond laser pulses can produce a full palette of non-iridescent colours on silver, gold, copper and aluminium. We demonstrate the process on silver coins weighing up to 5 kg and bearing large topographic variations (∼1.5 cm). We find that colours are related to a single parameter, the total accumulated fluence, making the process suitable for high-throughput industrial applications. Statistical image analyses of laser-irradiated surfaces reveal various nanoparticle size distributions. Large-scale finite-difference time-domain computations based on these nanoparticle distributions reproduce trends seen in reflectance measurements, and demonstrate the key role of plasmonic resonances in colour formation. PMID:28719576

GENASIS Mathematics : Object-oriented manifolds, operations, and solvers for large-scale physics simulations

NASA Astrophysics Data System (ADS)

Cardall, Christian Y.; Budiardja, Reuben D.

2018-01-01

The large-scale computer simulation of a system of physical fields governed by partial differential equations requires some means of approximating the mathematical limit of continuity. For example, conservation laws are often treated with a 'finite-volume' approach in which space is partitioned into a large number of small 'cells,' with fluxes through cell faces providing an intuitive discretization modeled on the mathematical definition of the divergence operator. Here we describe and make available Fortran 2003 classes furnishing extensible object-oriented implementations of simple meshes and the evolution of generic conserved currents thereon, along with individual 'unit test' programs and larger example problems demonstrating their use. These classes inaugurate the Mathematics division of our developing astrophysics simulation code GENASIS (Gen eral A strophysical Si mulation S ystem), which will be expanded over time to include additional meshing options, mathematical operations, solver types, and solver variations appropriate for many multiphysics applications.

Efficient partitioning and assignment on programs for multiprocessor execution

NASA Technical Reports Server (NTRS)

Standley, Hilda M.

1993-01-01

The general problem studied is that of segmenting or partitioning programs for distribution across a multiprocessor system. Efficient partitioning and the assignment of program elements are of great importance since the time consumed in this overhead activity may easily dominate the computation, effectively eliminating any gains made by the use of the parallelism. In this study, the partitioning of sequentially structured programs (written in FORTRAN) is evaluated. Heuristics, developed for similar applications are examined. Finally, a model for queueing networks with finite queues is developed which may be used to analyze multiprocessor system architectures with a shared memory approach to the problem of partitioning. The properties of sequentially written programs form obstacles to large scale (at the procedure or subroutine level) parallelization. Data dependencies of even the minutest nature, reflecting the sequential development of the program, severely limit parallelism. The design of heuristic algorithms is tied to the experience gained in the parallel splitting. Parallelism obtained through the physical separation of data has seen some success, especially at the data element level. Data parallelism on a grander scale requires models that accurately reflect the effects of blocking caused by finite queues. A model for the approximation of the performance of finite queueing networks is developed. This model makes use of the decomposition approach combined with the efficiency of product form solutions.

Finite element analysis of large transient elastic-plastic deformations of simple structures, with application to the engine rotor fragment containment/deflection problem

NASA Technical Reports Server (NTRS)

Wu, R. W.; Witmer, E. A.

1972-01-01

Assumed-displacement versions of the finite-element method are developed to predict large-deformation elastic-plastic transient deformations of structures. Both the conventional and a new improved finite-element variational formulation are derived. These formulations are then developed in detail for straight-beam and curved-beam elements undergoing (1) Bernoulli-Euler-Kirchhoff or (2) Timoshenko deformation behavior, in one plane. For each of these categories, several types of assumed-displacement finite elements are developed, and transient response predictions are compared with available exact solutions for small-deflection, linear-elastic transient responses. The present finite-element predictions for large-deflection elastic-plastic transient responses are evaluated via several beam and ring examples for which experimental measurements of transient strains and large transient deformations and independent finite-difference predictions are available.

Scaling of cluster growth for coagulating active particles

NASA Astrophysics Data System (ADS)

Cremer, Peet; Löwen, Hartmut

2014-02-01

Cluster growth in a coagulating system of active particles (such as microswimmers in a solvent) is studied by theory and simulation. In contrast to passive systems, the net velocity of a cluster can have various scalings dependent on the propulsion mechanism and alignment of individual particles. Additionally, the persistence length of the cluster trajectory typically increases with size. As a consequence, a growing cluster collects neighboring particles in a very efficient way and thus amplifies its growth further. This results in unusual large growth exponents for the scaling of the cluster size with time and, for certain conditions, even leads to "explosive" cluster growth where the cluster becomes macroscopic in a finite amount of time.

An Adaptive Multiscale Finite Element Method for Large Scale Simulations

DTIC Science & Technology

2015-09-28

Illinois at Urbana-Champaign Abstract Hypersonic vehicles are subjected to extreme acoustic, thermal and mechanical loading with strong spatial and temporal...07/15/2012 Reporting Period End Date 07/14/2015 Abstract Hypersonic vehicles are subjected to extreme acoustic, thermal and mechanical loading with...gradients and for extended periods of time. Long duration, 3-D simulations of non-linear response of these vehicles , is prohibitively expensive using

Clustering and heterogeneous dynamics in a kinetic Monte Carlo model of self-propelled hard disks

NASA Astrophysics Data System (ADS)

Levis, Demian; Berthier, Ludovic

2014-06-01

We introduce a kinetic Monte Carlo model for self-propelled hard disks to capture with minimal ingredients the interplay between thermal fluctuations, excluded volume, and self-propulsion in large assemblies of active particles. We analyze in detail the resulting (density, self-propulsion) nonequilibrium phase diagram over a broad range of parameters. We find that purely repulsive hard disks spontaneously aggregate into fractal clusters as self-propulsion is increased and rationalize the evolution of the average cluster size by developing a kinetic model of reversible aggregation. As density is increased, the nonequilibrium clusters percolate to form a ramified structure reminiscent of a physical gel. We show that the addition of a finite amount of noise is needed to trigger a nonequilibrium phase separation, showing that demixing in active Brownian particles results from a delicate balance between noise, interparticle interactions, and self-propulsion. We show that self-propulsion has a profound influence on the dynamics of the active fluid. We find that the diffusion constant has a nonmonotonic behavior as self-propulsion is increased at finite density and that activity produces strong deviations from Fickian diffusion that persist over large time scales and length scales, suggesting that systems of active particles generically behave as dynamically heterogeneous systems.

Turbulent diffusion of chemically reacting flows: Theory and numerical simulations

NASA Astrophysics Data System (ADS)

Elperin, T.; Kleeorin, N.; Liberman, M.; Lipatnikov, A. N.; Rogachevskii, I.; Yu, R.

2017-11-01

The theory of turbulent diffusion of chemically reacting gaseous admixtures developed previously [T. Elperin et al., Phys. Rev. E 90, 053001 (2014), 10.1103/PhysRevE.90.053001] is generalized for large yet finite Reynolds numbers and the dependence of turbulent diffusion coefficient on two parameters, the Reynolds number and Damköhler number (which characterizes a ratio of turbulent and reaction time scales), is obtained. Three-dimensional direct numerical simulations (DNSs) of a finite-thickness reaction wave for the first-order chemical reactions propagating in forced, homogeneous, isotropic, and incompressible turbulence are performed to validate the theoretically predicted effect of chemical reactions on turbulent diffusion. It is shown that the obtained DNS results are in good agreement with the developed theory.

A 3-D turbulent flow analysis using finite elements with k-ɛ model

NASA Astrophysics Data System (ADS)

Okuda, H.; Yagawa, G.; Eguchi, Y.

1989-03-01

This paper describes the finite element turbulent flow analysis, which is suitable for three-dimensional large scale problems. The k-ɛ turbulence model as well as the conservation equations of mass and momentum are discretized in space using rather low order elements. Resulting coefficient matrices are evaluated by one-point quadrature in order to reduce the computational storage and the CPU cost. The time integration scheme based on the velocity correction method is employed to obtain steady state solutions. For the verification of this FEM program, two-dimensional plenum flow is simulated and compared with experiment. As the application to three-dimensional practical problems, the turbulent flows in the upper plenum of the fast breeder reactor are calculated for various boundary conditions.

Turbulent diffusion of chemically reacting flows: Theory and numerical simulations.

PubMed

Elperin, T; Kleeorin, N; Liberman, M; Lipatnikov, A N; Rogachevskii, I; Yu, R

2017-11-01

The theory of turbulent diffusion of chemically reacting gaseous admixtures developed previously [T. Elperin et al., Phys. Rev. E 90, 053001 (2014)PLEEE81539-375510.1103/PhysRevE.90.053001] is generalized for large yet finite Reynolds numbers and the dependence of turbulent diffusion coefficient on two parameters, the Reynolds number and Damköhler number (which characterizes a ratio of turbulent and reaction time scales), is obtained. Three-dimensional direct numerical simulations (DNSs) of a finite-thickness reaction wave for the first-order chemical reactions propagating in forced, homogeneous, isotropic, and incompressible turbulence are performed to validate the theoretically predicted effect of chemical reactions on turbulent diffusion. It is shown that the obtained DNS results are in good agreement with the developed theory.

Escape and finite-size scaling in diffusion-controlled annihilation

DOE PAGES

Ben-Naim, Eli; Krapivsky, Paul L.

2016-12-16

In this paper, we study diffusion-controlled single-species annihilation with a finite number of particles. In this reaction-diffusion process, each particle undergoes ordinary diffusion, and when two particles meet, they annihilate. We focus on spatial dimensions d>2 where a finite number of particles typically survive the annihilation process. Using scaling techniques we investigate the average number of surviving particles, M, as a function of the initial number of particles, N. In three dimensions, for instance, we find the scaling law M ~ N 1/3 in the asymptotic regime N»1. We show that two time scales govern the reaction kinetics: the diffusionmore » time scale, T ~ N 2/3, and the escape time scale, τ ~ N 4/3. The vast majority of annihilation events occur on the diffusion time scale, while no annihilation events occur beyond the escape time scale.« less

Anomalies of the Asian Monsoon Induced by Aerosol Forcings

NASA Technical Reports Server (NTRS)

Lau, William K. M.; Kim, M. K.

2004-01-01

Impacts of aerosols on the Asian summer monsoon are studied using the NASA finite volume General Circulation Model (fvGCM), with radiative forcing derived from three-dimensional distributions of five aerosol species i.e., black carbon, organic carbon, soil dust, and sea salt from the Goddard Chemistry Aerosol Radiation and Transport Model (GOCART). Results show that absorbing aerosols, i.e., black carbon and dust, induce large-scale upper-level heating anomaly over the Tibetan Plateau in April and May, ushering in & early onset of the Indian summer monsoon. Absorbing aerosols also I i enhance lower-level heating and anomalous ascent over northern India, intensifying the Indian monsoon. Overall, the aerosol-induced large-scale surface' temperature cooling leads to a reduction of monsoon rainfall over the East Asia continent, and adjacent oceanic regions.

Beta decay rates of neutron-rich nuclei

NASA Astrophysics Data System (ADS)

Marketin, Tomislav; Huther, Lutz; Martínez-Pinedo, Gabriel

2015-10-01

Heavy element nucleosynthesis models involve various properties of thousands of nuclei in order to simulate the intricate details of the process. By necessity, as most of these nuclei cannot be studied in a controlled environment, these models must rely on the nuclear structure models for input. Of all the properties, the beta-decay half-lives are one of the most important ones due to their direct impact on the resulting abundance distributions. Currently, a single large-scale calculation is available based on a QRPA calculation with a schematic interaction on top of the Finite Range Droplet Model. In this study we present the results of a large-scale calculation based on the relativistic nuclear energy density functional, where both the allowed and the first-forbidden transitions are studied in more than 5000 neutron-rich nuclei.

Generalized multiscale finite-element method (GMsFEM) for elastic wave propagation in heterogeneous, anisotropic media

DOE Office of Scientific and Technical Information (OSTI.GOV)

Gao, Kai; Fu, Shubin; Gibson, Richard L.

It is important to develop fast yet accurate numerical methods for seismic wave propagation to characterize complex geological structures and oil and gas reservoirs. However, the computational cost of conventional numerical modeling methods, such as finite-difference method and finite-element method, becomes prohibitively expensive when applied to very large models. We propose a Generalized Multiscale Finite-Element Method (GMsFEM) for elastic wave propagation in heterogeneous, anisotropic media, where we construct basis functions from multiple local problems for both the boundaries and interior of a coarse node support or coarse element. The application of multiscale basis functions can capture the fine scale mediummore » property variations, and allows us to greatly reduce the degrees of freedom that are required to implement the modeling compared with conventional finite-element method for wave equation, while restricting the error to low values. We formulate the continuous Galerkin and discontinuous Galerkin formulation of the multiscale method, both of which have pros and cons. Applications of the multiscale method to three heterogeneous models show that our multiscale method can effectively model the elastic wave propagation in anisotropic media with a significant reduction in the degrees of freedom in the modeling system.« less

Generalized Multiscale Finite-Element Method (GMsFEM) for elastic wave propagation in heterogeneous, anisotropic media

DOE Office of Scientific and Technical Information (OSTI.GOV)

Gao, Kai, E-mail: kaigao87@gmail.com; Fu, Shubin, E-mail: shubinfu89@gmail.com; Gibson, Richard L., E-mail: gibson@tamu.edu

It is important to develop fast yet accurate numerical methods for seismic wave propagation to characterize complex geological structures and oil and gas reservoirs. However, the computational cost of conventional numerical modeling methods, such as finite-difference method and finite-element method, becomes prohibitively expensive when applied to very large models. We propose a Generalized Multiscale Finite-Element Method (GMsFEM) for elastic wave propagation in heterogeneous, anisotropic media, where we construct basis functions from multiple local problems for both the boundaries and interior of a coarse node support or coarse element. The application of multiscale basis functions can capture the fine scale mediummore » property variations, and allows us to greatly reduce the degrees of freedom that are required to implement the modeling compared with conventional finite-element method for wave equation, while restricting the error to low values. We formulate the continuous Galerkin and discontinuous Galerkin formulation of the multiscale method, both of which have pros and cons. Applications of the multiscale method to three heterogeneous models show that our multiscale method can effectively model the elastic wave propagation in anisotropic media with a significant reduction in the degrees of freedom in the modeling system.« less

Generalized multiscale finite-element method (GMsFEM) for elastic wave propagation in heterogeneous, anisotropic media

DOE PAGES

Gao, Kai; Fu, Shubin; Gibson, Richard L.; ...

2015-04-14

It is important to develop fast yet accurate numerical methods for seismic wave propagation to characterize complex geological structures and oil and gas reservoirs. However, the computational cost of conventional numerical modeling methods, such as finite-difference method and finite-element method, becomes prohibitively expensive when applied to very large models. We propose a Generalized Multiscale Finite-Element Method (GMsFEM) for elastic wave propagation in heterogeneous, anisotropic media, where we construct basis functions from multiple local problems for both the boundaries and interior of a coarse node support or coarse element. The application of multiscale basis functions can capture the fine scale mediummore » property variations, and allows us to greatly reduce the degrees of freedom that are required to implement the modeling compared with conventional finite-element method for wave equation, while restricting the error to low values. We formulate the continuous Galerkin and discontinuous Galerkin formulation of the multiscale method, both of which have pros and cons. Applications of the multiscale method to three heterogeneous models show that our multiscale method can effectively model the elastic wave propagation in anisotropic media with a significant reduction in the degrees of freedom in the modeling system.« less

Comment on "Universal relation between skewness and kurtosis in complex dynamics"

NASA Astrophysics Data System (ADS)

Celikoglu, Ahmet; Tirnakli, Ugur

2015-12-01

In a recent paper [M. Cristelli, A. Zaccaria, and L. Pietronero, Phys. Rev. E 85, 066108 (2012), 10.1103/PhysRevE.85.066108], the authors analyzed the relation between skewness and kurtosis for complex dynamical systems, and they identified two power-law regimes of non-Gaussianity, one of which scales with an exponent of 2 and the other with 4 /3 . They concluded that the observed relation is a universal fact in complex dynamical systems. In this Comment, we test the proposed universal relation between skewness and kurtosis with a large number of synthetic data, and we show that in fact it is not a universal relation and originates only due to the small number of data points in the datasets considered. The proposed relation is tested using a family of non-Gaussian distribution known as q -Gaussians. We show that this relation disappears for sufficiently large datasets provided that the fourth moment of the distribution is finite. We find that kurtosis saturates to a single value, which is of course different from the Gaussian case (K =3 ), as the number of data is increased, and this indicates that the kurtosis will converge to a finite single value if all moments of the distribution up to fourth are finite. The converged kurtosis value for the finite fourth-moment distributions and the number of data points needed to reach this value depend on the deviation of the original distribution from the Gaussian case.

Renormalization-group flow of the effective action of cosmological large-scale structures

DOE Office of Scientific and Technical Information (OSTI.GOV)

Floerchinger, Stefan; Garny, Mathias; Tetradis, Nikolaos

Following an approach of Matarrese and Pietroni, we derive the functional renormalization group (RG) flow of the effective action of cosmological large-scale structures. Perturbative solutions of this RG flow equation are shown to be consistent with standard cosmological perturbation theory. Non-perturbative approximate solutions can be obtained by truncating the a priori infinite set of possible effective actions to a finite subspace. Using for the truncated effective action a form dictated by dissipative fluid dynamics, we derive RG flow equations for the scale dependence of the effective viscosity and sound velocity of non-interacting dark matter, and we solve them numerically. Physically,more » the effective viscosity and sound velocity account for the interactions of long-wavelength fluctuations with the spectrum of smaller-scale perturbations. We find that the RG flow exhibits an attractor behaviour in the IR that significantly reduces the dependence of the effective viscosity and sound velocity on the input values at the UV scale. This allows for a self-contained computation of matter and velocity power spectra for which the sensitivity to UV modes is under control.« less

Peridynamic Multiscale Finite Element Methods

DOE Office of Scientific and Technical Information (OSTI.GOV)

Costa, Timothy; Bond, Stephen D.; Littlewood, David John

The problem of computing quantum-accurate design-scale solutions to mechanics problems is rich with applications and serves as the background to modern multiscale science research. The prob- lem can be broken into component problems comprised of communicating across adjacent scales, which when strung together create a pipeline for information to travel from quantum scales to design scales. Traditionally, this involves connections between a) quantum electronic structure calculations and molecular dynamics and between b) molecular dynamics and local partial differ- ential equation models at the design scale. The second step, b), is particularly challenging since the appropriate scales of molecular dynamic andmore » local partial differential equation models do not overlap. The peridynamic model for continuum mechanics provides an advantage in this endeavor, as the basic equations of peridynamics are valid at a wide range of scales limiting from the classical partial differential equation models valid at the design scale to the scale of molecular dynamics. In this work we focus on the development of multiscale finite element methods for the peridynamic model, in an effort to create a mathematically consistent channel for microscale information to travel from the upper limits of the molecular dynamics scale to the design scale. In particular, we first develop a Nonlocal Multiscale Finite Element Method which solves the peridynamic model at multiple scales to include microscale information at the coarse-scale. We then consider a method that solves a fine-scale peridynamic model to build element-support basis functions for a coarse- scale local partial differential equation model, called the Mixed Locality Multiscale Finite Element Method. Given decades of research and development into finite element codes for the local partial differential equation models of continuum mechanics there is a strong desire to couple local and nonlocal models to leverage the speed and state of the art of local models with the flexibility and accuracy of the nonlocal peridynamic model. In the mixed locality method this coupling occurs across scales, so that the nonlocal model can be used to communicate material heterogeneity at scales inappropriate to local partial differential equation models. Additionally, the computational burden of the weak form of the peridynamic model is reduced dramatically by only requiring that the model be solved on local patches of the simulation domain which may be computed in parallel, taking advantage of the heterogeneous nature of next generation computing platforms. Addition- ally, we present a novel Galerkin framework, the 'Ambulant Galerkin Method', which represents a first step towards a unified mathematical analysis of local and nonlocal multiscale finite element methods, and whose future extension will allow the analysis of multiscale finite element methods that mix models across scales under certain assumptions of the consistency of those models.« less

Effect of Finite Computational Domain on Turbulence Scaling Law in Both Physical and Spectral Spaces

NASA Technical Reports Server (NTRS)

Hou, Thomas Y.; Wu, Xiao-Hui; Chen, Shiyi; Zhou, Ye

1998-01-01

The well-known translation between the power law of energy spectrum and that of the correlation function or the second order structure function has been widely used in analyzing random data. Here, we show that the translation is valid only in proper scaling regimes. The regimes of valid translation are different for the correlation function and the structure function. Indeed, they do not overlap. Furthermore, in practice, the power laws exist only for a finite range of scales. We show that this finite range makes the translation inexact even in the proper scaling regime. The error depends on the scaling exponent. The current findings are applicable to data analysis in fluid turbulence and other stochastic systems.

Partition-of-unity finite-element method for large scale quantum molecular dynamics on massively parallel computational platforms

DOE Office of Scientific and Technical Information (OSTI.GOV)

Pask, J E; Sukumar, N; Guney, M

2011-02-28

Over the course of the past two decades, quantum mechanical calculations have emerged as a key component of modern materials research. However, the solution of the required quantum mechanical equations is a formidable task and this has severely limited the range of materials systems which can be investigated by such accurate, quantum mechanical means. The current state of the art for large-scale quantum simulations is the planewave (PW) method, as implemented in now ubiquitous VASP, ABINIT, and QBox codes, among many others. However, since the PW method uses a global Fourier basis, with strictly uniform resolution at all points inmore » space, and in which every basis function overlaps every other at every point, it suffers from substantial inefficiencies in calculations involving atoms with localized states, such as first-row and transition-metal atoms, and requires substantial nonlocal communications in parallel implementations, placing critical limits on scalability. In recent years, real-space methods such as finite-differences (FD) and finite-elements (FE) have been developed to address these deficiencies by reformulating the required quantum mechanical equations in a strictly local representation. However, while addressing both resolution and parallel-communications problems, such local real-space approaches have been plagued by one key disadvantage relative to planewaves: excessive degrees of freedom (grid points, basis functions) needed to achieve the required accuracies. And so, despite critical limitations, the PW method remains the standard today. In this work, we show for the first time that this key remaining disadvantage of real-space methods can in fact be overcome: by building known atomic physics into the solution process using modern partition-of-unity (PU) techniques in finite element analysis. Indeed, our results show order-of-magnitude reductions in basis size relative to state-of-the-art planewave based methods. The method developed here is completely general, applicable to any crystal symmetry and to both metals and insulators alike. We have developed and implemented a full self-consistent Kohn-Sham method, including both total energies and forces for molecular dynamics, and developed a full MPI parallel implementation for large-scale calculations. We have applied the method to the gamut of physical systems, from simple insulating systems with light atoms to complex d- and f-electron systems, requiring large numbers of atomic-orbital enrichments. In every case, the new PU FE method attained the required accuracies with substantially fewer degrees of freedom, typically by an order of magnitude or more, than the current state-of-the-art PW method. Finally, our initial MPI implementation has shown excellent parallel scaling of the most time-critical parts of the code up to 1728 processors, with clear indications of what will be required to achieve comparable scaling for the rest. Having shown that the key remaining disadvantage of real-space methods can in fact be overcome, the work has attracted significant attention: with sixteen invited talks, both domestic and international, so far; two papers published and another in preparation; and three new university and/or national laboratory collaborations, securing external funding to pursue a number of related research directions. Having demonstrated the proof of principle, work now centers on the necessary extensions and optimizations required to bring the prototype method and code delivered here to production applications.« less

Electromagnetic plasma simulation in realistic geometries

NASA Astrophysics Data System (ADS)

Brandon, S.; Ambrosiano, J. J.; Nielsen, D.

1991-08-01

Particle-in-Cell (PIC) calculations have become an indispensable tool to model the nonlinear collective behavior of charged particle species in electromagnetic fields. Traditional finite difference codes, such as CONDOR (2-D) and ARGUS (3-D), are used extensively to design experiments and develop new concepts. A wide variety of physical processes can be modeled simply and efficiently by these codes. However, experiments have become more complex. Geometrical shapes and length scales are becoming increasingly more difficult to model. Spatial resolution requirements for the electromagnetic calculation force large grids and small time steps. Many hours of CRAY YMP time may be required to complete 2-D calculation -- many more for 3-D calculations. In principle, the number of mesh points and particles need only to be increased until all relevant physical processes are resolved. In practice, the size of a calculation is limited by the computer budget. As a result, experimental design is being limited by the ability to calculate, not by the experimenters ingenuity or understanding of the physical processes involved. Several approaches to meet these computational demands are being pursued. Traditional PIC codes continue to be the major design tools. These codes are being actively maintained, optimized, and extended to handle large and more complex problems. Two new formulations are being explored to relax the geometrical constraints of the finite difference codes. A modified finite volume test code, TALUS, uses a data structure compatible with that of standard finite difference meshes. This allows a basic conformal boundary/variable grid capability to be retrofitted to CONDOR. We are also pursuing an unstructured grid finite element code, MadMax. The unstructured mesh approach provides maximum flexibility in the geometrical model while also allowing local mesh refinement.

The cavitation erosion of ultrasonic sonotrode during large-scale metallic casting: Experiment and simulation.

PubMed

Tian, Yang; Liu, Zhilin; Li, Xiaoqian; Zhang, Lihua; Li, Ruiqing; Jiang, Ripeng; Dong, Fang

2018-05-01

Ultrasonic sonotrodes play an essential role in transmitting power ultrasound into the large-scale metallic casting. However, cavitation erosion considerably impairs the in-service performance of ultrasonic sonotrodes, leading to marginal microstructural refinement. In this work, the cavitation erosion behaviour of ultrasonic sonotrodes in large-scale castings was explored using the industry-level experiments of Al alloy cylindrical ingots (i.e. 630 mm in diameter and 6000 mm in length). When introducing power ultrasound, severe cavitation erosion was found to reproducibly occur at some specific positions on ultrasonic sonotrodes. However, there is no cavitation erosion present on the ultrasonic sonotrodes that were not driven by electric generator. Vibratory examination showed cavitation erosion depended on the vibration state of ultrasonic sonotrodes. Moreover, a finite element (FE) model was developed to simulate the evolution and distribution of acoustic pressure in 3-D solidification volume. FE simulation results confirmed that significant dynamic interaction between sonotrodes and melts only happened at some specific positions corresponding to severe cavitation erosion. This work will allow for developing more advanced ultrasonic sonotrodes with better cavitation erosion-resistance, in particular for large-scale castings, from the perspectives of ultrasonic physics and mechanical design. Copyright © 2018 Elsevier B.V. All rights reserved.

Estimation of critical behavior from the density of states in classical statistical models

NASA Astrophysics Data System (ADS)

Malakis, A.; Peratzakis, A.; Fytas, N. G.

2004-12-01

We present a simple and efficient approximation scheme which greatly facilitates the extension of Wang-Landau sampling (or similar techniques) in large systems for the estimation of critical behavior. The method, presented in an algorithmic approach, is based on a very simple idea, familiar in statistical mechanics from the notion of thermodynamic equivalence of ensembles and the central limit theorem. It is illustrated that we can predict with high accuracy the critical part of the energy space and by using this restricted part we can extend our simulations to larger systems and improve the accuracy of critical parameters. It is proposed that the extensions of the finite-size critical part of the energy space, determining the specific heat, satisfy a scaling law involving the thermal critical exponent. The method is applied successfully for the estimation of the scaling behavior of specific heat of both square and simple cubic Ising lattices. The proposed scaling law is verified by estimating the thermal critical exponent from the finite-size behavior of the critical part of the energy space. The density of states of the zero-field Ising model on these lattices is obtained via a multirange Wang-Landau sampling.

Lee-Yang zero analysis for the study of QCD phase structure

DOE Office of Scientific and Technical Information (OSTI.GOV)

Ejiri, Shinji

2006-03-01

We comment on the Lee-Yang zero analysis for the study of the phase structure of QCD at high temperature and baryon number density by Monte-Carlo simulations. We find that the sign problem for nonzero density QCD induces a serious problem in the finite volume scaling analysis of the Lee-Yang zeros for the investigation of the order of the phase transition. If the sign problem occurs at large volume, the Lee-Yang zeros will always approach the real axis of the complex parameter plane in the thermodynamic limit. This implies that a scaling behavior which would suggest a crossover transition will notmore » be obtained. To clarify this problem, we discuss the Lee-Yang zero analysis for SU(3) pure gauge theory as a simple example without the sign problem, and then consider the case of nonzero density QCD. It is suggested that the distribution of the Lee-Yang zeros in the complex parameter space obtained by each simulation could be more important information for the investigation of the critical endpoint in the (T,{mu}{sub q}) plane than the finite volume scaling behavior.« less

Nonconservative and reverse spectral transfer in Hasegawa-Mima turbulence

DOE Office of Scientific and Technical Information (OSTI.GOV)

Terry, P.W.; Newman, D.E.

1993-01-01

The dual cascade is generally represented as a conservative cascade of enstrophy to short wavelengths through an enstrophy similarity range and an inverse cascade of energy to long wavelengths through an energy similarity range. This picture, based on a proof due to Kraichnan [Phys. Fluids 10, 1417 (1967)], is found to be significantly modified for a spectra of finite extent. Dimensional arguments and direct measurement of spectral flow in Hasegawa-Mima turbulence indicate that for both the energy and enstrophy cascades, transfer of the conserved quantity is accompanied by a nonconservative transfer of the other quantity. The decrease of a givenmore » invariant (energy or enstrophy) in the nonconservative transfer in one similarity range is balanced by the increase of that quantity in the other similarity range, thus maintaining net invariance. The increase or decrease of a given invariant quantity in one similarity range depends on the injection scale and is consistent with that quantity being carried in a self-similar transfer of the other invariant quantity. This leads, in an inertial range of finite size, to some energy being carried to small scales and some enstrophy being carried to large scales.« less

Nonconservative and reverse spectral transfer in Hasegawa--Mima turbulence

DOE Office of Scientific and Technical Information (OSTI.GOV)

Terry, P.W.; Newman, D.E.

1993-07-01

The dual cascade is generally represented as a conservative cascade of enstrophy to short wavelengths through an enstrophy similarity range and an inverse cascade of energy to long wavelengths through an energy similarity range. This picture, based on a proof due to Kraichnan [Phys. Fluids [bold 10], 1417 (1967)], is found to be significantly modified for spectra of finite extent. Dimensional arguments and direct measurement of spectral flow in Hasegawa--Mima turbulence indicate that for both the energy and enstrophy cascades, transfer of the conserved quantity is accompanied by a nonconservative transfer of the other quantity. The decrease of a givenmore » invariant (energy or enstrophy) in the nonconservative transfer in one similarity range is balanced by the increase of that quantity in the other similarity range, thus maintaining net invariance. The increase or decrease of a given invariant quantity in one similarity range depends on the injection scale and is consistent with that quantity being carried in a self-similar transfer of the other invariant quantity. This leads, in an inertial range of finite size, to some energy being carried to small scales and some enstrophy being carried to large scales.« less

Exoplanet phase curves at large phase angles. Diagnostics for extended hazy atmospheres

NASA Astrophysics Data System (ADS)

García Muñoz, A.; Cabrera, J.

2018-01-01

At optical wavelengths, Titan's brightness for large Sun-Titan-observer phase angles significantly exceeds its dayside brightness. The brightening that occurs near back-illumination is due to moderately large haze particles in the moon's extended atmosphere that forward scatters the incident sunlight. Motivated by this phenomenon, here we investigate the forward scattering from currently known exoplanets, its diagnostics possibilities, the observational requirements to resolve it and potential implications. An analytical expression is derived for the amount of starlight forward scattered by an exponential atmosphere that takes into account the finite angular size of the star. We use this expression to tentatively estimate how prevalent this phenomenon may be. Based on numerical calculations that consider exoplanet visibility, we identify numerous planets with predicted out-of-transit forward-scattering signals of up to tens of parts per million provided that aerosols of ≳1 μm size form over an extended vertical region near the optical radius level. We propose that the interpretation of available optical phase curves should be revised to constrain the strength of this phenomenon that might provide insight into aerosol scale heights and particle sizes. For the relatively general atmospheres considered here, forward scattering reduces the transmission-only transit depth by typically less than the equivalent to a scale height. For short-period exoplanets, the finite angular size of the star severely affects the amount of radiation scattered towards the observer at mid-transit.

Computation of rapidly varied unsteady, free-surface flow

USGS Publications Warehouse

Basco, D.R.

1987-01-01

Many unsteady flows in hydraulics occur with relatively large gradients in free surface profiles. The assumption of hydrostatic pressure distribution with depth is no longer valid. These are rapidly-varied unsteady flows (RVF) of classical hydraulics and also encompass short wave propagation of coastal hydraulics. The purpose of this report is to present an introductory review of the Boussinnesq-type differential equations that describe these flows and to discuss methods for their numerical integration. On variable slopes and for large scale (finite-amplitude) disturbances, three independent derivational methods all gave differences in the motion equation for higher order terms. The importance of these higher-order terms for riverine applications must be determined by numerical experiments. Care must be taken in selection of the appropriate finite-difference scheme to minimize truncation error effects and the possibility of diverging (double mode) numerical solutions. It is recommended that practical hydraulics cases be established and tested numerically to demonstrate the order of differences in solution with those obtained from the long wave equations of St. Venant. (USGS)

A tractable prescription for large-scale free flight expansion of wavefunctions

NASA Astrophysics Data System (ADS)

Deuar, P.

2016-11-01

A numerical recipe is given for obtaining the density image of an initially compact quantum mechanical wavefunction that has expanded by a large but finite factor under free flight. The recipe given avoids the memory storage problems that plague this type of calculation by reducing the problem to the sum of a number of fast Fourier transforms carried out on the relatively small initial lattice. The final expanded state is given exactly on a coarser magnified grid with the same number of points as the initial state. An important application of this technique is the simulation of measured time-of-flight images in ultracold atom experiments, especially when the initial clouds contain superfluid defects. It is shown that such a finite-time expansion, rather than a far-field approximation is essential to correctly predict images of defect-laden clouds, even for long flight times. Examples shown are: an expanding quasicondensate with soliton defects and a matter-wave interferometer in 3D.

3D Finite Element Analysis of Yixing CFRD Built on Inclined Mountain Slope

NASA Astrophysics Data System (ADS)

Sun, Da Wei; Zhang, Liang; Qing Yao, Hui; Wang, Kang Ping

2018-05-01

There are few CFRDs built on steep slope with dam height more than 50 m. So does the relative design and construction experience. The 75 m-high Yixing CFRD was built on steep mountain slope and the 45.9m-high gravity retaining wall was used to against dam sliding. Since the excessive deformation of dam body and perimetric joints would lead to failure of seal materials and cause water leakage, 3D nonlinear finite element stress-deformation analysis was carried out. 3D finite element mesh with 63875 elements including retaining wall and surrounding mountain was established by use of advanced grid discreteness technique. Large scales of equations solving method were adopted in the computer procedure and the calculation time was greatly reduced from former 40 hours to now 45 minutes. Therefore the behavior of the dam, retaining wall and the joint was obtained in a short time, and the results would be helpful to the design and construction of Yixing dam.

Transient numerical model of magma ascent dynamics: application to the explosive eruptions at the Soufrière Hills Volcano

NASA Astrophysics Data System (ADS)

La Spina, G.; de'Michieli Vitturi, M.; Clarke, A. B.

2017-04-01

Volcanic activity exhibits a wide range of eruption styles, from relatively slow effusive eruptions that produce lava flows and lava domes, to explosive eruptions that can inject large volumes of fragmented magma and volcanic gases high into the atmosphere. Although controls on eruption style and scale are not fully understood, previous research suggests that the dynamics of magma ascent in the shallow subsurface (< 10 km depth) may in part control the transition from effusive to explosive eruption and variations in eruption style and scale. Here we investigate the initial stages of explosive eruptions using a 1D transient model for magma ascent through a conduit based on the theory of the thermodynamically compatible systems. The model is novel in that it implements finite rates of volatile exsolution and velocity and pressure relaxation between the phases. We validate the model against a simple two-phase Riemann problem, the Air-Water Shock Tube problem, which contains strong shock and rarefaction waves. We then use the model to explore the role of the aforementioned finite rates in controlling eruption style and duration, within the context of two types of eruptions at the Soufrière Hills Volcano, Montserrat: Vulcanian and sub-Plinian eruptions. Exsolution, pressure, and velocity relaxation rates all appear to exert important controls on eruption duration. More significantly, however, a single finite exsolution rate characteristic of the Soufrière Hills magma composition is able to produce both end-member eruption durations observed in nature. The duration therefore appears to be largely controlled by the timescales available for exsolution, which depend on dynamic processes such as ascent rate and fragmentation wave speed.

Stress Distribution During Deformation of Polycrystalline Aluminum by Molecular-Dynamics and Finite-Element Modeling

NASA Technical Reports Server (NTRS)

Yamakov, V.; Saether, E.; Phillips, D.; Glaessgen, E. H.

2004-01-01

In this paper, a multiscale modelling strategy is used to study the effect of grain-boundary sliding on stress localization in a polycrystalline microstructure with an uneven distribution of grain size. The development of the molecular dynamics (MD) analysis used to interrogate idealized grain microstructures with various types of grain boundaries and the multiscale modelling strategies for modelling large systems of grains is discussed. Both molecular-dynamics and finite-element (FE) simulations for idealized polycrystalline models of identical geometry are presented with the purpose of demonstrating the effectiveness of the adapted finite-element method using cohesive zone models to reproduce grain-boundary sliding and its effect on the stress distribution in a polycrystalline metal. The yield properties of the grain-boundary interface, used in the FE simulations, are extracted from a MD simulation on a bicrystal. The models allow for the study of the load transfer between adjacent grains of very different size through grain-boundary sliding during deformation. A large-scale FE simulation of 100 grains of a typical microstructure is then presented to reveal that the stress distribution due to grain-boundary sliding during uniform tensile strain can lead to stress localization of two to three times the background stress, thus suggesting a significant effect on the failure properties of the metal.

Determining Wheel-Soil Interaction Loads Using a Meshfree Finite Element Approach Assisting Future Missions with Rover Wheel Design

NASA Technical Reports Server (NTRS)

Contreras, Michael T.; Peng, Chia-Yen; Wang, Dongdong; Chen, Jiun-Shyan

2012-01-01

A wheel experiencing sinkage and slippage events poses a high risk to rover missions as evidenced by recent mobility challenges on the Mars Exploration Rover (MER) project. Because several factors contribute to wheel sinkage and slippage conditions such as soil composition, large deformation soil behavior, wheel geometry, nonlinear contact forces, terrain irregularity, etc., there are significant benefits to modeling these events to a sufficient degree of complexity. For the purposes of modeling wheel sinkage and slippage at an engineering scale, meshfree finite element approaches enable simulations that capture sufficient detail of wheel-soil interaction while remaining computationally feasible. This study demonstrates some of the large deformation modeling capability of meshfree methods and the realistic solutions obtained by accounting for the soil material properties. A benchmark wheel-soil interaction problem is developed and analyzed using a specific class of meshfree methods called Reproducing Kernel Particle Method (RKPM). The benchmark problem is also analyzed using a commercially available finite element approach with Lagrangian meshing for comparison. RKPM results are comparable to classical pressure-sinkage terramechanics relationships proposed by Bekker-Wong. Pending experimental calibration by future work, the meshfree modeling technique will be a viable simulation tool for trade studies assisting rover wheel design.

Revisiting of Multiscale Static Analysis of Notched Laminates Using the Generalized Method of Cells

NASA Technical Reports Server (NTRS)

Naghipour Ghezeljeh, Paria; Arnold, Steven M.; Pineda, Evan J.

2016-01-01

Composite material systems generally exhibit a range of behavior on different length scales (from constituent level to macro); therefore, a multiscale framework is beneficial for the design and engineering of these material systems. The complex nature of the observed composite failure during experiments suggests the need for a three-dimensional (3D) multiscale model to attain a reliable prediction. However, the size of a multiscale three-dimensional finite element model can become prohibitively large and computationally costly. Two-dimensional (2D) models are preferred due to computational efficiency, especially if many different configurations have to be analyzed for an in-depth damage tolerance and durability design study. In this study, various 2D and 3D multiscale analyses will be employed to conduct a detailed investigation into the tensile failure of a given multidirectional, notched carbon fiber reinforced polymer laminate. Threedimensional finite element analysis is typically considered more accurate than a 2D finite element model, as compared with experiments. Nevertheless, in the absence of adequate mesh refinement, large differences may be observed between a 2D and 3D analysis, especially for a shear-dominated layup. This observed difference has not been widely addressed in previous literature and is the main focus of this paper.

Critical scaling of the mutual information in two-dimensional disordered Ising models

NASA Astrophysics Data System (ADS)

Sriluckshmy, P. V.; Mandal, Ipsita

2018-04-01

Rényi mutual information, computed from second Rényi entropies, can identify classical phase transitions from their finite-size scaling at critical points. We apply this technique to examine the presence or absence of finite temperature phase transitions in various two-dimensional models on a square lattice, which are extensions of the conventional Ising model by adding a quenched disorder. When the quenched disorder causes the nearest neighbor bonds to be both ferromagnetic and antiferromagnetic, (a) a spin glass phase exists only at zero temperature, and (b) a ferromagnetic phase exists at a finite temperature when the antiferromagnetic bond distributions are sufficiently dilute. Furthermore, finite temperature paramagnetic-ferromagnetic transitions can also occur when the disordered bonds involve only ferromagnetic couplings of random strengths. In our numerical simulations, the ‘zero temperature only’ phase transitions are identified when there is no consistent finite-size scaling of the Rényi mutual information curves, while for finite temperature critical points, the curves can identify the critical temperature T c by their crossings at T c and 2 Tc .

Comparison of Large eddy dynamo simulation using dynamic sub-grid scale (SGS) model with a fully resolved direct simulation in a rotating spherical shell

NASA Astrophysics Data System (ADS)

Matsui, H.; Buffett, B. A.

2017-12-01

The flow in the Earth's outer core is expected to have vast length scale from the geometry of the outer core to the thickness of the boundary layer. Because of the limitation of the spatial resolution in the numerical simulations, sub-grid scale (SGS) modeling is required to model the effects of the unresolved field on the large-scale fields. We model the effects of sub-grid scale flow and magnetic field using a dynamic scale similarity model. Four terms are introduced for the momentum flux, heat flux, Lorentz force and magnetic induction. The model was previously used in the convection-driven dynamo in a rotating plane layer and spherical shell using the Finite Element Methods. In the present study, we perform large eddy simulations (LES) using the dynamic scale similarity model. The scale similarity model is implement in Calypso, which is a numerical dynamo model using spherical harmonics expansion. To obtain the SGS terms, the spatial filtering in the horizontal directions is done by taking the convolution of a Gaussian filter expressed in terms of a spherical harmonic expansion, following Jekeli (1981). A Gaussian field is also applied in the radial direction. To verify the present model, we perform a fully resolved direct numerical simulation (DNS) with the truncation of the spherical harmonics L = 255 as a reference. And, we perform unresolved DNS and LES with SGS model on coarser resolution (L= 127, 84, and 63) using the same control parameter as the resolved DNS. We will discuss the verification results by comparison among these simulations and role of small scale fields to large scale fields through the role of the SGS terms in LES.

Micro-scale finite element modeling of ultrasound propagation in aluminum trabecular bone-mimicking phantoms: A comparison between numerical simulation and experimental results.

PubMed

Vafaeian, B; Le, L H; Tran, T N H T; El-Rich, M; El-Bialy, T; Adeeb, S

2016-05-01

The present study investigated the accuracy of micro-scale finite element modeling for simulating broadband ultrasound propagation in water-saturated trabecular bone-mimicking phantoms. To this end, five commercially manufactured aluminum foam samples as trabecular bone-mimicking phantoms were utilized for ultrasonic immersion through-transmission experiments. Based on micro-computed tomography images of the same physical samples, three-dimensional high-resolution computational samples were generated to be implemented in the micro-scale finite element models. The finite element models employed the standard Galerkin finite element method (FEM) in time domain to simulate the ultrasonic experiments. The numerical simulations did not include energy dissipative mechanisms of ultrasonic attenuation; however, they expectedly simulated reflection, refraction, scattering, and wave mode conversion. The accuracy of the finite element simulations were evaluated by comparing the simulated ultrasonic attenuation and velocity with the experimental data. The maximum and the average relative errors between the experimental and simulated attenuation coefficients in the frequency range of 0.6-1.4 MHz were 17% and 6% respectively. Moreover, the simulations closely predicted the time-of-flight based velocities and the phase velocities of ultrasound with maximum relative errors of 20 m/s and 11 m/s respectively. The results of this study strongly suggest that micro-scale finite element modeling can effectively simulate broadband ultrasound propagation in water-saturated trabecular bone-mimicking structures. Copyright © 2016 Elsevier B.V. All rights reserved.

Three-Dimensional Numerical Analyses of Earth Penetration Dynamics

DTIC Science & Technology

1979-01-31

Lagrangian formulation based on the HEMP method and has been adapted and validated for treatment of normal-incidence (axisymmetric) impact and...code, is a detailed analysis of the structural response of the EPW. This analysis is generated using a nonlinear dynamic, elastic- plastic finite element...based on the HEMP scheme. Thus, the code has the same material modeling capabilities and abilities to track large scale motion found in the WAVE-L code

Slip Continuity in Explicit Crystal Plasticity Simulations Using Nonlocal Continuum and Semi-discrete Approaches

DTIC Science & Technology

2013-01-01

Based Micropolar Single Crystal Plasticity: Comparison of Multi - and Single Criterion Theories. J. Mech. Phys. Solids 2011, 59, 398–422. ALE3D ...element boundaries in a multi -step constitutive evaluation (Becker, 2011). The results showed the desired effects of smoothing the deformation field...Implementation The model was implemented in the large-scale parallel, explicit finite element code ALE3D (2012). The crystal plasticity

Bounding the first exit from the basin: Independence times and finite-time basin stability

NASA Astrophysics Data System (ADS)

Schultz, Paul; Hellmann, Frank; Webster, Kevin N.; Kurths, Jürgen

2018-04-01

We study the stability of deterministic systems, given sequences of large, jump-like perturbations. Our main result is the derivation of a lower bound for the probability of the system to remain in the basin, given that perturbations are rare enough. This bound is efficient to evaluate numerically. To quantify rare enough, we define the notion of the independence time of such a system. This is the time after which a perturbed state has probably returned close to the attractor, meaning that subsequent perturbations can be considered separately. The effect of jump-like perturbations that occur at least the independence time apart is thus well described by a fixed probability to exit the basin at each jump, allowing us to obtain the bound. To determine the independence time, we introduce the concept of finite-time basin stability, which corresponds to the probability that a perturbed trajectory returns to an attractor within a given time. The independence time can then be determined as the time scale at which the finite-time basin stability reaches its asymptotic value. Besides that, finite-time basin stability is a novel probabilistic stability measure on its own, with potential broad applications in complex systems.

High Fidelity Modeling of Turbulent Mixing and Chemical Kinetics Interactions in a Post-Detonation Flow Field

NASA Astrophysics Data System (ADS)

Sinha, Neeraj; Zambon, Andrea; Ott, James; Demagistris, Michael

2015-06-01

Driven by the continuing rapid advances in high-performance computing, multi-dimensional high-fidelity modeling is an increasingly reliable predictive tool capable of providing valuable physical insight into complex post-detonation reacting flow fields. Utilizing a series of test cases featuring blast waves interacting with combustible dispersed clouds in a small-scale test setup under well-controlled conditions, the predictive capabilities of a state-of-the-art code are demonstrated and validated. Leveraging physics-based, first principle models and solving large system of equations on highly-resolved grids, the combined effects of finite-rate/multi-phase chemical processes (including thermal ignition), turbulent mixing and shock interactions are captured across the spectrum of relevant time-scales and length scales. Since many scales of motion are generated in a post-detonation environment, even if the initial ambient conditions are quiescent, turbulent mixing plays a major role in the fireball afterburning as well as in dispersion, mixing, ignition and burn-out of combustible clouds in its vicinity. Validating these capabilities at the small scale is critical to establish a reliable predictive tool applicable to more complex and large-scale geometries of practical interest.

On the formulation and assessment of flamelet-generated manifolds applied to two-phase turbulent combustion

NASA Astrophysics Data System (ADS)

Bojko, Brian T.

Accounting for the effects of finite rate chemistry in reacting flows is intractable when considering the number of species and reactions to be solved for during a large scale flow simulation. This is especially complicated when solid/liquid fuels are also considered. While modeling the reacting boundary layer with the use of finite-rate chemistry may allow for a highly accurate description of the coupling between the flame and fuel surface, it is not tractable in large scale simulations when considering detailed chemical kinetics. It is the goal of this research to investigate a Flamelet-Generated Manifold (FGM) method in order to reduce the finite rate chemistry to a lookup table cataloged by progress variables and queried during runtime. In this study, simplified unsteady 1D flames with mass blowing are considered for a solid biomass fuel where the FGM method is employed as a model reduction strategy for potential application to multidimensional calculations. Two types of FGM are considered. The first are a set of steady-state flames differentiated by their scalar dissipation rate. Results show the use of steady flames produce unacceptable errors compared to the finite-rate chemistry solution, with temperature errors in excess of 45%. To avoid these errors, a new methodology for developing an unsteady FGM (UFGM) is presented that accounts for unsteady diffusion effects and greatly reduces errors in temperature with differences that are under 10%. The FGM modeling is then extended to individual droplet combustion with the development of a Droplet Flamelet-Generated Manifold (DFGM) to account for the effects of finite-rate chemistry of individual droplets. A spherically symmetric droplet model is developed for methanol and aluminum. The inclusion of finite-rate chemistry allows the capturing of the transition from diffusion to kinetically controlled combustion as the droplet diameter decreases. The droplet model is then used to create a DFGM by successively solving the 1D flame equations at varying drop sizes, where the source terms for energy, mixture fraction, and progress variable are cataloged as a function of normalized diameter. A unique coupling of the DFGM and planar UFGM is developed and is used to account for individual and gas phase combustion processes in turbulent combustion situations, such as spray flames, particle laden blasts, etc. The DFGM for the methanol and aluminum droplets are used in mixed Eulerian and Eulerian-Lagrangian formulations of compressible multiphase flows. System level simulations are conducted and compared experimental data for a methanol spray flame and an aluminized blast studied at the Explosives Components Facility (ECF) at Sandia National Laboratories.

An Integrated Approach to Characterizing Bypassed Oil in Heterogeneous and Fractured Reservoirs Using Partitioning Tracers

DOE Office of Scientific and Technical Information (OSTI.GOV)

Akhil Datta-Gupta

2006-12-31

We explore the use of efficient streamline-based simulation approaches for modeling partitioning interwell tracer tests in hydrocarbon reservoirs. Specifically, we utilize the unique features of streamline models to develop an efficient approach for interpretation and history matching of field tracer response. A critical aspect here is the underdetermined and highly ill-posed nature of the associated inverse problems. We have investigated the relative merits of the traditional history matching ('amplitude inversion') and a novel travel time inversion in terms of robustness of the method and convergence behavior of the solution. We show that the traditional amplitude inversion is orders of magnitudemore » more non-linear and the solution here is likely to get trapped in local minimum, leading to inadequate history match. The proposed travel time inversion is shown to be extremely efficient and robust for practical field applications. The streamline approach is generalized to model water injection in naturally fractured reservoirs through the use of a dual media approach. The fractures and matrix are treated as separate continua that are connected through a transfer function, as in conventional finite difference simulators for modeling fractured systems. A detailed comparison with a commercial finite difference simulator shows very good agreement. Furthermore, an examination of the scaling behavior of the computation time indicates that the streamline approach is likely to result in significant savings for large-scale field applications. We also propose a novel approach to history matching finite-difference models that combines the advantage of the streamline models with the versatility of finite-difference simulation. In our approach, we utilize the streamline-derived sensitivities to facilitate history matching during finite-difference simulation. The use of finite-difference model allows us to account for detailed process physics and compressibility effects. The approach is very fast and avoids much of the subjective judgments and time-consuming trial-and-errors associated with manual history matching. We demonstrate the power and utility of our approach using a synthetic example and two field examples. We have also explored the use of a finite difference reservoir simulator, UTCHEM, for field-scale design and optimization of partitioning interwell tracer tests. The finite-difference model allows us to include detailed physics associated with reactive tracer transport, particularly those related with transverse and cross-streamline mechanisms. We have investigated the potential use of downhole tracer samplers and also the use of natural tracers for the design of partitioning tracer tests. Finally, we discuss several alternative ways of using partitioning interwell tracer tests (PITTs) in oil fields for the calculation of oil saturation, swept pore volume and sweep efficiency, and assess the accuracy of such tests under a variety of reservoir conditions.« less

Applications of finite-size scaling for atomic and non-equilibrium systems

NASA Astrophysics Data System (ADS)

Antillon, Edwin A.

We apply the theory of Finite-size scaling (FSS) to an atomic and a non-equilibrium system in order to extract critical parameters. In atomic systems, we look at the energy dependence on the binding charge near threshold between bound and free states, where we seek the critical nuclear charge for stability. We use different ab initio methods, such as Hartree-Fock, Density Functional Theory, and exact formulations implemented numerically with the finite-element method (FEM). Using Finite-size scaling formalism, where in this case the size of the system is related to the number of elements used in the basis expansion of the wavefunction, we predict critical parameters in the large basis limit. Results prove to be in good agreement with previous Slater-basis set calculations and demonstrate that this combined approach provides a promising first-principles approach to describe quantum phase transitions for materials and extended systems. In the second part we look at non-equilibrium one-dimensional model known as the raise and peel model describing a growing surface which grows locally and has non-local desorption. For a specific values of adsorption ( ua) and desorption (ud) the model shows interesting features. At ua = ud, the model is described by a conformal field theory (with conformal charge c = 0) and its stationary probability can be mapped to the ground state of a quantum chain and can also be related a two dimensional statistical model. For ua ≥ ud, the model shows a scale invariant phase in the avalanche distribution. In this work we study the surface dynamics by looking at avalanche distributions using FSS formalism and explore the effect of changing the boundary conditions of the model. The model shows the same universality for the cases with and with our the wall for an odd number of tiles removed, but we find a new exponent in the presence of a wall for an even number of avalanches released. We provide new conjecture for the probability distribution of avalanches with a wall obtained by using exact diagonalization of small lattices and Monte-Carlo simulations.

Computational performance of Free Mesh Method applied to continuum mechanics problems

PubMed Central

YAGAWA, Genki

2011-01-01

The free mesh method (FMM) is a kind of the meshless methods intended for particle-like finite element analysis of problems that are difficult to handle using global mesh generation, or a node-based finite element method that employs a local mesh generation technique and a node-by-node algorithm. The aim of the present paper is to review some unique numerical solutions of fluid and solid mechanics by employing FMM as well as the Enriched Free Mesh Method (EFMM), which is a new version of FMM, including compressible flow and sounding mechanism in air-reed instruments as applications to fluid mechanics, and automatic remeshing for slow crack growth, dynamic behavior of solid as well as large-scale Eigen-frequency of engine block as applications to solid mechanics. PMID:21558753

Middle atmosphere project. A semi-spectral numerical model for the large-scale stratospheric circulation

NASA Technical Reports Server (NTRS)

Holton, J. R.; Wehrbein, W.

1979-01-01

The complete model is a semispectral model in which the longitudinal dependence is represented by expansion in zonal harmonics while the latitude and height dependencies are represented by a finite difference grid. The model is based on the primitive equations in the log pressure coordinate system. The lower boundary of the model domain is set at the 100 mb level (i.e., near the tropopause) and the effects of tropospheric forcing are included in the lower boundary condition. The upper boundary is at approximately 96 km, and the latitudinal extent is either global or hemispheric. The basic differential equations and boundary conditions are outlined. The finite difference equations are described. The initial conditions are discussed and a sample calculation is presented. The FORTRAN code is given in the appendix.

Modal Test/Analysis Correlation of Space Station Structures Using Nonlinear Sensitivity

NASA Technical Reports Server (NTRS)

Gupta, Viney K.; Newell, James F.; Berke, Laszlo; Armand, Sasan

1992-01-01

The modal correlation problem is formulated as a constrained optimization problem for validation of finite element models (FEM's). For large-scale structural applications, a pragmatic procedure for substructuring, model verification, and system integration is described to achieve effective modal correlation. The space station substructure FEM's are reduced using Lanczos vectors and integrated into a system FEM using Craig-Bampton component modal synthesis. The optimization code is interfaced with MSC/NASTRAN to solve the problem of modal test/analysis correlation; that is, the problem of validating FEM's for launch and on-orbit coupled loads analysis against experimentally observed frequencies and mode shapes. An iterative perturbation algorithm is derived and implemented to update nonlinear sensitivity (derivatives of eigenvalues and eigenvectors) during optimizer iterations, which reduced the number of finite element analyses.

Modal test/analysis correlation of Space Station structures using nonlinear sensitivity

NASA Technical Reports Server (NTRS)

Gupta, Viney K.; Newell, James F.; Berke, Laszlo; Armand, Sasan

1992-01-01

The modal correlation problem is formulated as a constrained optimization problem for validation of finite element models (FEM's). For large-scale structural applications, a pragmatic procedure for substructuring, model verification, and system integration is described to achieve effective modal correlations. The space station substructure FEM's are reduced using Lanczos vectors and integrated into a system FEM using Craig-Bampton component modal synthesis. The optimization code is interfaced with MSC/NASTRAN to solve the problem of modal test/analysis correlation; that is, the problem of validating FEM's for launch and on-orbit coupled loads analysis against experimentally observed frequencies and mode shapes. An iterative perturbation algorithm is derived and implemented to update nonlinear sensitivity (derivatives of eigenvalues and eigenvectors) during optimizer iterations, which reduced the number of finite element analyses.

Pattern formation in individual-based systems with time-varying parameters

NASA Astrophysics Data System (ADS)

Ashcroft, Peter; Galla, Tobias

2013-12-01

We study the patterns generated in finite-time sweeps across symmetry-breaking bifurcations in individual-based models. Similar to the well-known Kibble-Zurek scenario of defect formation, large-scale patterns are generated when model parameters are varied slowly, whereas fast sweeps produce a large number of small domains. The symmetry breaking is triggered by intrinsic noise, originating from the discrete dynamics at the microlevel. Based on a linear-noise approximation, we calculate the characteristic length scale of these patterns. We demonstrate the applicability of this approach in a simple model of opinion dynamics, a model in evolutionary game theory with a time-dependent fitness structure, and a model of cell differentiation. Our theoretical estimates are confirmed in simulations. In further numerical work, we observe a similar phenomenon when the symmetry-breaking bifurcation is triggered by population growth.

Large-scale computations in fluid mechanics; Proceedings of the Fifteenth Summer Seminar on Applied Mathematics, University of California, La Jolla, CA, June 27-July 8, 1983. Parts 1 & 2

NASA Technical Reports Server (NTRS)

Engquist, B. E. (Editor); Osher, S. (Editor); Somerville, R. C. J. (Editor)

1985-01-01

Papers are presented on such topics as the use of semi-Lagrangian advective schemes in meteorological modeling; computation with high-resolution upwind schemes for hyperbolic equations; dynamics of flame propagation in a turbulent field; a modified finite element method for solving the incompressible Navier-Stokes equations; computational fusion magnetohydrodynamics; and a nonoscillatory shock capturing scheme using flux-limited dissipation. Consideration is also given to the use of spectral techniques in numerical weather prediction; numerical methods for the incorporation of mountains in atmospheric models; techniques for the numerical simulation of large-scale eddies in geophysical fluid dynamics; high-resolution TVD schemes using flux limiters; upwind-difference methods for aerodynamic problems governed by the Euler equations; and an MHD model of the earth's magnetosphere.

System-Integrated Finite Element Analysis of a Full-Scale Helicopter Crash Test with Deployable Energy Absorbers

NASA Technical Reports Server (NTRS)

Annett, Martin S.; Polanco, Michael A.

2010-01-01

A full-scale crash test of an MD-500 helicopter was conducted in December 2009 at NASA Langley's Landing and Impact Research facility (LandIR). The MD-500 helicopter was fitted with a composite honeycomb Deployable Energy Absorber (DEA) and tested under vertical and horizontal impact velocities of 26-ft/sec and 40-ft/sec, respectively. The objectives of the test were to evaluate the performance of the DEA concept under realistic crash conditions and to generate test data for validation of a system integrated finite element model. In preparation for the full-scale crash test, a series of sub-scale and MD-500 mass simulator tests was conducted to evaluate the impact performances of various components, including a new crush tube and the DEA blocks. Parameters defined within the system integrated finite element model were determined from these tests. The objective of this paper is to summarize the finite element models developed and analyses performed, beginning with pre-test predictions and continuing through post-test validation.

Magnetic Shear Damped Polar Convective Fluid Instabilities

NASA Astrophysics Data System (ADS)

Atul, Jyoti K.; Singh, Rameswar; Sarkar, Sanjib; Kravchenko, Oleg V.; Singh, Sushil K.; Chattopadhyaya, Prabal K.; Kaw, Predhiman K.

2018-01-01

The influence of the magnetic field shear is studied on the E × B (and/or gravitational) and the Current Convective Instabilities (CCI) occurring in the high-latitude F layer ionosphere. It is shown that magnetic shear reduces the growth rate of these instabilities. The magnetic shear-induced stabilization is more effective at the larger-scale sizes (≥ tens of kilometers) while at the scintillation causing intermediate scale sizes (˜ a few kilometers), the growth rate remains largely unaffected. The eigenmode structure gets localized about a rational surface due to finite magnetic shear and has broken reflectional symmetry due to centroid shift of the mode by equilibrium parallel flow or current.

Assessment of stretched vortex subgrid-scale models for LES of incompressible inhomogeneous turbulent flow

PubMed Central

Shetty, Dinesh A.; Frankel, Steven H.

2013-01-01

Summary The physical space version of the stretched vortex subgrid scale model [Phys. Fluids 12, 1810 (2000)] is tested in large eddy simulations (LES) of the turbulent lid driven cubic cavity flow. LES is carried out using a higher order finite-difference method [J. Comput. Phys. 229, 8802 (2010)]. The effects of different vortex orientation models and subgrid turbulence spectrums are assessed through comparisons of the LES predictions against direct numerical simulations (DNS) [Phys. Fluids 12, 1363 (2000)]. Three Reynolds numbers 12000, 18000, and 22000 are studied. Good agreement with the DNS data for the mean and fluctuating quantities is observed. PMID:24187423

Assessing a mini-application as a performance proxy for a finite element method engineering application

DOE Office of Scientific and Technical Information (OSTI.GOV)

Lin, Paul T.; Heroux, Michael A.; Barrett, Richard F.

The performance of a large-scale, production-quality science and engineering application (‘app’) is often dominated by a small subset of the code. Even within that subset, computational and data access patterns are often repeated, so that an even smaller portion can represent the performance-impacting features. If application developers, parallel computing experts, and computer architects can together identify this representative subset and then develop a small mini-application (‘miniapp’) that can capture these primary performance characteristics, then this miniapp can be used to both improve the performance of the app as well as provide a tool for co-design for the high-performance computing community.more » However, a critical question is whether a miniapp can effectively capture key performance behavior of an app. This study provides a comparison of an implicit finite element semiconductor device modeling app on unstructured meshes with an implicit finite element miniapp on unstructured meshes. The goal is to assess whether the miniapp is predictive of the performance of the app. Finally, single compute node performance will be compared, as well as scaling up to 16,000 cores. Results indicate that the miniapp can be reasonably predictive of the performance characteristics of the app for a single iteration of the solver on a single compute node.« less

Assessing a mini-application as a performance proxy for a finite element method engineering application

DOE PAGES

Lin, Paul T.; Heroux, Michael A.; Barrett, Richard F.; ...

2015-07-30

The performance of a large-scale, production-quality science and engineering application (‘app’) is often dominated by a small subset of the code. Even within that subset, computational and data access patterns are often repeated, so that an even smaller portion can represent the performance-impacting features. If application developers, parallel computing experts, and computer architects can together identify this representative subset and then develop a small mini-application (‘miniapp’) that can capture these primary performance characteristics, then this miniapp can be used to both improve the performance of the app as well as provide a tool for co-design for the high-performance computing community.more » However, a critical question is whether a miniapp can effectively capture key performance behavior of an app. This study provides a comparison of an implicit finite element semiconductor device modeling app on unstructured meshes with an implicit finite element miniapp on unstructured meshes. The goal is to assess whether the miniapp is predictive of the performance of the app. Finally, single compute node performance will be compared, as well as scaling up to 16,000 cores. Results indicate that the miniapp can be reasonably predictive of the performance characteristics of the app for a single iteration of the solver on a single compute node.« less

Distributed weighted least-squares estimation with fast convergence for large-scale systems.

PubMed

Marelli, Damián Edgardo; Fu, Minyue

2015-01-01

In this paper we study a distributed weighted least-squares estimation problem for a large-scale system consisting of a network of interconnected sub-systems. Each sub-system is concerned with a subset of the unknown parameters and has a measurement linear in the unknown parameters with additive noise. The distributed estimation task is for each sub-system to compute the globally optimal estimate of its own parameters using its own measurement and information shared with the network through neighborhood communication. We first provide a fully distributed iterative algorithm to asymptotically compute the global optimal estimate. The convergence rate of the algorithm will be maximized using a scaling parameter and a preconditioning method. This algorithm works for a general network. For a network without loops, we also provide a different iterative algorithm to compute the global optimal estimate which converges in a finite number of steps. We include numerical experiments to illustrate the performances of the proposed methods.

Distributed weighted least-squares estimation with fast convergence for large-scale systems☆

PubMed Central

Marelli, Damián Edgardo; Fu, Minyue

2015-01-01

In this paper we study a distributed weighted least-squares estimation problem for a large-scale system consisting of a network of interconnected sub-systems. Each sub-system is concerned with a subset of the unknown parameters and has a measurement linear in the unknown parameters with additive noise. The distributed estimation task is for each sub-system to compute the globally optimal estimate of its own parameters using its own measurement and information shared with the network through neighborhood communication. We first provide a fully distributed iterative algorithm to asymptotically compute the global optimal estimate. The convergence rate of the algorithm will be maximized using a scaling parameter and a preconditioning method. This algorithm works for a general network. For a network without loops, we also provide a different iterative algorithm to compute the global optimal estimate which converges in a finite number of steps. We include numerical experiments to illustrate the performances of the proposed methods. PMID:25641976

Optimal performance of generalized heat engines with finite-size baths of arbitrary multiple conserved quantities beyond independent-and-identical-distribution scaling

NASA Astrophysics Data System (ADS)

Ito, Kosuke; Hayashi, Masahito

2018-01-01

In quantum thermodynamics, effects of finiteness of the baths have been less considered. In particular, there is no general theory which focuses on finiteness of the baths of multiple conserved quantities. Then, we investigate how the optimal performance of generalized heat engines with multiple conserved quantities alters in response to the size of the baths. In the context of general theories of quantum thermodynamics, the size of the baths has been given in terms of the number of identical copies of a system, which does not cover even such a natural scaling as the volume. In consideration of the asymptotic extensivity, we deal with a generic scaling of the baths to naturally include the volume scaling. Based on it, we derive a bound for the performance of generalized heat engines reflecting finite-size effects of the baths, which we call fine-grained generalized Carnot bound. We also construct a protocol to achieve the optimal performance of the engine given by this bound. Finally, applying the obtained general theory, we deal with simple examples of generalized heat engines. As for an example of non-independent-and-identical-distribution scaling and multiple conserved quantities, we investigate a heat engine with two baths composed of an ideal gas exchanging particles, where the volume scaling is applied. The result implies that the mass of the particle explicitly affects the performance of this engine with finite-size baths.

VALIDATION OF ANSYS FINITE ELEMENT ANALYSIS SOFTWARE

DOE Office of Scientific and Technical Information (OSTI.GOV)

HAMM, E.R.

2003-06-27

This document provides a record of the verification and Validation of the ANSYS Version 7.0 software that is installed on selected CH2M HILL computers. The issues addressed include: Software verification, installation, validation, configuration management and error reporting. The ANSYS{reg_sign} computer program is a large scale multi-purpose finite element program which may be used for solving several classes of engineering analysis. The analysis capabilities of ANSYS Full Mechanical Version 7.0 installed on selected CH2M Hill Hanford Group (CH2M HILL) Intel processor based computers include the ability to solve static and dynamic structural analyses, steady-state and transient heat transfer problems, mode-frequency andmore » buckling eigenvalue problems, static or time-varying magnetic analyses and various types of field and coupled-field applications. The program contains many special features which allow nonlinearities or secondary effects to be included in the solution, such as plasticity, large strain, hyperelasticity, creep, swelling, large deflections, contact, stress stiffening, temperature dependency, material anisotropy, and thermal radiation. The ANSYS program has been in commercial use since 1970, and has been used extensively in the aerospace, automotive, construction, electronic, energy services, manufacturing, nuclear, plastics, oil and steel industries.« less

Zombie Turbulence and More in Stratified Couette Flow

NASA Astrophysics Data System (ADS)

Marcus, Philip; Barranco, Joe; Pei, Suyang; Jiang, Chung-Hsiang

2016-11-01

Zombie turbulence occurs in rotating, shearing vertically-stratified flows such as stratified Couette flows. The turbulence is triggered by a neutrally-stable eigenmode with a critical layer receptive to finite-amplitude perturbations. Once excited, the critical layer becomes a vortex layer pair that rolls up into discrete vortices. Those vortices excite new critical layers, and the process repeats ad infinitum. When the vortex amplitudes become sufficiently large, the flow becomes turbulent. Although possessing a mid-range energy spectrum with E (k) k - 5 / 3 , the turbulence is non-Kolmogorov, highly anisotropic, and with large turbulent, but coherent, structures that retain the length scales of the spacing between the critical layers. The motivation for this study is protoplanetary disks (PPDs) where new stars form. In the PPD the Brunt-Vaisala frequency N increases as a function of distance from the midplane where it is zero. We cannot trigger the initial finite amplitude instability where N is small (close to the midplane). However, computations in PPDs and Couette flows show that zombie turbulence forms where N is large, and then a new type of turbulence, that is neither zombie nor Kolmogorov turbulence, fills in the remainder of the domain even where N = 0 .

Scaling effects in the impact response of graphite-epoxy composite beams

NASA Technical Reports Server (NTRS)

Jackson, Karen E.; Fasanella, Edwin L.

1989-01-01

In support of crashworthiness studies on composite airframes and substructure, an experimental and analytical study was conducted to characterize size effects in the large deflection response of scale model graphite-epoxy beams subjected to impact. Scale model beams of 1/2, 2/3, 3/4, 5/6, and full scale were constructed of four different laminate stacking sequences including unidirectional, angle ply, cross ply, and quasi-isotropic. The beam specimens were subjected to eccentric axial impact loads which were scaled to provide homologous beam responses. Comparisons of the load and strain time histories between the scale model beams and the prototype should verify the scale law and demonstrate the use of scale model testing for determining impact behavior of composite structures. The nonlinear structural analysis finite element program DYCAST (DYnamic Crash Analysis of STructures) was used to model the beam response. DYCAST analysis predictions of beam strain response are compared to experimental data and the results are presented.

Evaluation of Test Methods for Triaxially Braided Composites using a Meso-Scale Finite Element Model

DOE Office of Scientific and Technical Information (OSTI.GOV)

Zhang, Chao

The characterization of triaxially braided composite is complicate due to the nonuniformity of deformation within the unit cell as well as the possibility of the freeedge effect related to the large size of the unit cell. Extensive experimental investigation has been conducted to develop more accurate test approaches in characterizing the actual mechanical properties of the material we are studying. In this work, a meso-scale finite element model is utilized to simulate two complex specimens: notched tensile specimen and tube tensile specimen, which are designed to avoid the free-edge effect and free-edge effect induced premature edge damage. The full fieldmore » strain data is predicted numerically and compared with experimental data obtained by Digit Image Correlation. The numerically predicted tensile strength values are compared with experimentally measured results. The discrepancy between numerically predicted and experimentally measured data, the capability of different test approaches are analyzed and discussed. The presented numerical model could serve as assistance to the evaluation of different test methods, and is especially useful in identifying potential local damage events.« less

Optimal Transient Growth of Submesoscale Baroclinic Instabilities

NASA Astrophysics Data System (ADS)

White, Brian; Zemskova, Varvara; Passaggia, Pierre-Yves

2016-11-01

Submesoscale instabilities are analyzed using a transient growth approach to determine the optimal perturbation for a rotating Boussinesq fluid subject to baroclinic instabilities. We consider a base flow with uniform shear and stratification and consider the non-normal evolution over finite-time horizons of linear perturbations in an ageostrophic, non-hydrostatic regime. Stone (1966, 1971) showed that the stability of the base flow to normal modes depends on the Rossby and Richardson numbers, with instabilities ranging from geostrophic (Ro -> 0) and ageostrophic (finite Ro) baroclinic modes to symmetric (Ri < 1 , Ro > 1) and Kelvin-Helmholtz (Ri < 1 / 4) modes. Non-normal transient growth, initiated by localized optimal wave packets, represents a faster mechanism for the growth of perturbations and may provide an energetic link between large-scale flows in geostrophic balance and dissipation scales via submesoscale instabilities. Here we consider two- and three-dimensional optimal perturbations by means of direct-adjoint iterations of the linearized Boussinesq Navier-Stokes equations to determine the form of the optimal perturbation, the optimal energy gain, and the characteristics of the most unstable perturbation.

Spreading Resistance on Thin Film Contacts

NASA Astrophysics Data System (ADS)

Zhang, Peng; Lau, Y. Y.; Hung, D.; Gilgenbach, R. M.

2012-10-01

Electrical contact [1] is important to wire-array z-pinches, metal-insulator-vacuum junctions, and high power microwave sources, etc. Contact problems account for 40 percent of all electrical failures, from small scale consumer electronics to large scale defense and aerospace systems. The crowding of the current lines at contacts leads to enhanced localized heating, a measure of which is the spreading resistance (Rs). For a microscopic area of contact (the ``a-spot'' [1]) on a thin film, we calculate Rs in both Cartesian and cylindrical geometries [2]. In the limit of small film thickness, h, the normalized thin film spreading resistance converges to the finite values, 2.77 for the Cartesian case and 0.28 for the cylindrical case. These same finite limits are found to be applicable to the a-spot between bulk solids in the high frequency limit if the skin depth is identified with h. Extension to a general a-spot geometry is proposed [2]. [4pt] [1] R. Holm, Electric Contacts, 4th ed., Springer (1967). [0pt] [2] P. Zhang et al., IEEE Trans. Electron Devices 59, 1936 (2012).

Parallel Finite Element Domain Decomposition for Structural/Acoustic Analysis

NASA Technical Reports Server (NTRS)

Nguyen, Duc T.; Tungkahotara, Siroj; Watson, Willie R.; Rajan, Subramaniam D.

2005-01-01

A domain decomposition (DD) formulation for solving sparse linear systems of equations resulting from finite element analysis is presented. The formulation incorporates mixed direct and iterative equation solving strategics and other novel algorithmic ideas that are optimized to take advantage of sparsity and exploit modern computer architecture, such as memory and parallel computing. The most time consuming part of the formulation is identified and the critical roles of direct sparse and iterative solvers within the framework of the formulation are discussed. Experiments on several computer platforms using several complex test matrices are conducted using software based on the formulation. Small-scale structural examples are used to validate thc steps in the formulation and large-scale (l,000,000+ unknowns) duct acoustic examples are used to evaluate the ORIGIN 2000 processors, and a duster of 6 PCs (running under the Windows environment). Statistics show that the formulation is efficient in both sequential and parallel computing environmental and that the formulation is significantly faster and consumes less memory than that based on one of the best available commercialized parallel sparse solvers.

Modeling Physical Processes at the Nanoscale—Insight into Self-Organization of Small Systems (abstract)

NASA Astrophysics Data System (ADS)

Proykova, Ana

2009-04-01

Essential contributions have been made in the field of finite-size systems of ingredients interacting with potentials of various ranges. Theoretical simulations have revealed peculiar size effects on stability, ground state structure, phases, and phase transformation of systems confined in space and time. Models developed in the field of pure physics (atomic and molecular clusters) have been extended and successfully transferred to finite-size systems that seem very different—small-scale financial markets, autoimmune reactions, and social group reactions to advertisements. The models show that small-scale markets diverge unexpectedly fast as a result of small fluctuations; autoimmune reactions are sequences of two discontinuous phase transitions; and social groups possess critical behavior (social percolation) under the influence of an external field (advertisement). Some predicted size-dependent properties have been experimentally observed. These findings lead to the hypothesis that restrictions on an object's size determine the object's total internal (configuration) and external (environmental) interactions. Since phases are emergent phenomena produced by self-organization of a large number of particles, the occurrence of a phase in a system containing a small number of ingredients is remarkable.

Comparison of AGE and Spectral Methods for the Simulation of Far-Wakes

NASA Technical Reports Server (NTRS)

Bisset, D. K.; Rogers, M. M.; Kega, Dennis (Technical Monitor)

1999-01-01

Turbulent flow simulation methods based on finite differences are attractive for their simplicity, flexibility and efficiency, but not always for accuracy or stability. This report demonstrates that a good compromise is possible with the Advected Grid Explicit (AGE) method. AGE has proven to be both efficient and accurate for simulating turbulent free-shear flows, including planar mixing layers and planar jets. Its efficiency results from its localized fully explicit finite difference formulation (Bisset 1998a,b) that is very straightforward to compute, outweighing the need for a fairly small timestep. Also, most of the successful simulations were slightly under-resolved, and therefore they were, in effect, large-eddy simulations (LES) without a sub-grid-scale (SGS) model, rather than direct numerical simulations (DNS). The principle is that the role of the smallest scales of turbulent motion (when the Reynolds number is not too low) is to dissipate turbulent energy, and therefore they do not have to be simulated when the numerical method is inherently dissipative at its resolution limits. Such simulations are termed 'auto-LES' (LES with automatic SGS modeling) in this report.

Finite-Amplitude Local Wave Activity as a Diagnostic of Anomalous Weather Events

NASA Astrophysics Data System (ADS)

Huang, Shao Ying

Localized large-amplitude Rossby wave phenomena are often associated with adverse weather conditions in the midlatitudes. There has yet been a wave theory that can connect the evolution of extreme weather anomalies with the governing dynamical processes. This thesis provides a quasi-geostrophic framework for understanding the interaction between large-amplitude Rossby waves and the zonal flow on regional scales. Central to the theory is finite-amplitude local wave activity (LWA), a longitude-dependent measure of amplitude and pseudomomentum density of Rossby waves, as a generalization of the finite-amplitude Rossby wave activity (FAWA) developed by Nakamura and collaborators. The budget of LWA preserves the familiar structure of the Transformed Eulerian Mean (TEM) formalism, and it is more succinct and interpretable compared with other existing wave metrics. LWA also captures individual large-amplitude events more faithfully than most other detection methods. The bulk of the thesis concerns how the budget of wave activity may be closed with data when Rossby waves attain large amplitude and break, and how one interprets the budget. This includes the FAWA budget in a numerical simulation of barotropic decay on a sphere and the column budget of LWA in the storm track regions of the winter Northern Hemisphere with reanalysis data. The latter reveals subtle differences in the budget components between the Pacific and Atlantic storm tracks. Spectral analysis of the LWA budget also reveals the importance of the zonal LWA flux convergence and nonconservative LWA sources in synoptic- to intraseasonal timescales. The thesis concludes by introducing a promising recent development on the mechanistic understanding of the onset of atmospheric blocking using the LWA framework.

An Efficient Multiscale Finite-Element Method for Frequency-Domain Seismic Wave Propagation

DOE PAGES

Gao, Kai; Fu, Shubin; Chung, Eric T.

2018-02-13

The frequency-domain seismic-wave equation, that is, the Helmholtz equation, has many important applications in seismological studies, yet is very challenging to solve, particularly for large geological models. Iterative solvers, domain decomposition, or parallel strategies can partially alleviate the computational burden, but these approaches may still encounter nontrivial difficulties in complex geological models where a sufficiently fine mesh is required to represent the fine-scale heterogeneities. We develop a novel numerical method to solve the frequency-domain acoustic wave equation on the basis of the multiscale finite-element theory. We discretize a heterogeneous model with a coarse mesh and employ carefully constructed high-order multiscalemore » basis functions to form the basis space for the coarse mesh. Solved from medium- and frequency-dependent local problems, these multiscale basis functions can effectively capture themedium’s fine-scale heterogeneity and the source’s frequency information, leading to a discrete system matrix with a much smaller dimension compared with those from conventional methods.We then obtain an accurate solution to the acoustic Helmholtz equation by solving only a small linear system instead of a large linear system constructed on the fine mesh in conventional methods.We verify our new method using several models of complicated heterogeneities, and the results show that our new multiscale method can solve the Helmholtz equation in complex models with high accuracy and extremely low computational costs.« less

An Efficient Multiscale Finite-Element Method for Frequency-Domain Seismic Wave Propagation

DOE Office of Scientific and Technical Information (OSTI.GOV)

Gao, Kai; Fu, Shubin; Chung, Eric T.

The frequency-domain seismic-wave equation, that is, the Helmholtz equation, has many important applications in seismological studies, yet is very challenging to solve, particularly for large geological models. Iterative solvers, domain decomposition, or parallel strategies can partially alleviate the computational burden, but these approaches may still encounter nontrivial difficulties in complex geological models where a sufficiently fine mesh is required to represent the fine-scale heterogeneities. We develop a novel numerical method to solve the frequency-domain acoustic wave equation on the basis of the multiscale finite-element theory. We discretize a heterogeneous model with a coarse mesh and employ carefully constructed high-order multiscalemore » basis functions to form the basis space for the coarse mesh. Solved from medium- and frequency-dependent local problems, these multiscale basis functions can effectively capture themedium’s fine-scale heterogeneity and the source’s frequency information, leading to a discrete system matrix with a much smaller dimension compared with those from conventional methods.We then obtain an accurate solution to the acoustic Helmholtz equation by solving only a small linear system instead of a large linear system constructed on the fine mesh in conventional methods.We verify our new method using several models of complicated heterogeneities, and the results show that our new multiscale method can solve the Helmholtz equation in complex models with high accuracy and extremely low computational costs.« less

Finite-size scaling in the system of coupled oscillators with heterogeneity in coupling strength

NASA Astrophysics Data System (ADS)

Hong, Hyunsuk

2017-07-01

We consider a mean-field model of coupled phase oscillators with random heterogeneity in the coupling strength. The system that we investigate here is a minimal model that contains randomness in diverse values of the coupling strength, and it is found to return to the original Kuramoto model [Y. Kuramoto, Prog. Theor. Phys. Suppl. 79, 223 (1984), 10.1143/PTPS.79.223] when the coupling heterogeneity disappears. According to one recent paper [H. Hong, H. Chaté, L.-H. Tang, and H. Park, Phys. Rev. E 92, 022122 (2015), 10.1103/PhysRevE.92.022122], when the natural frequency of the oscillator in the system is "deterministically" chosen, with no randomness in it, the system is found to exhibit the finite-size scaling exponent ν ¯=5 /4 . Also, the critical exponent for the dynamic fluctuation of the order parameter is found to be given by γ =1 /4 , which is different from the critical exponents for the Kuramoto model with the natural frequencies randomly chosen. Originally, the unusual finite-size scaling behavior of the Kuramoto model was reported by Hong et al. [H. Hong, H. Chaté, H. Park, and L.-H. Tang, Phys. Rev. Lett. 99, 184101 (2007), 10.1103/PhysRevLett.99.184101], where the scaling behavior is found to be characterized by the unusual exponent ν ¯=5 /2 . On the other hand, if the randomness in the natural frequency is removed, it is found that the finite-size scaling behavior is characterized by a different exponent, ν ¯=5 /4 [H. Hong, H. Chaté, L.-H. Tang, and H. Park, Phys. Rev. E 92, 022122 (2015), 10.1103/PhysRevE.92.022122]. Those findings brought about our curiosity and led us to explore the effects of the randomness on the finite-size scaling behavior. In this paper, we pay particular attention to investigating the finite-size scaling and dynamic fluctuation when the randomness in the coupling strength is considered.

Compatible Spatial Discretizations for Partial Differential Equations

DOE Office of Scientific and Technical Information (OSTI.GOV)

Arnold, Douglas, N, ed.

From May 11--15, 2004, the Institute for Mathematics and its Applications held a hot topics workshop on Compatible Spatial Discretizations for Partial Differential Equations. The numerical solution of partial differential equations (PDE) is a fundamental task in science and engineering. The goal of the workshop was to bring together a spectrum of scientists at the forefront of the research in the numerical solution of PDEs to discuss compatible spatial discretizations. We define compatible spatial discretizations as those that inherit or mimic fundamental properties of the PDE such as topology, conservation, symmetries, and positivity structures and maximum principles. A wide varietymore » of discretization methods applied across a wide range of scientific and engineering applications have been designed to or found to inherit or mimic intrinsic spatial structure and reproduce fundamental properties of the solution of the continuous PDE model at the finite dimensional level. A profusion of such methods and concepts relevant to understanding them have been developed and explored: mixed finite element methods, mimetic finite differences, support operator methods, control volume methods, discrete differential forms, Whitney forms, conservative differencing, discrete Hodge operators, discrete Helmholtz decomposition, finite integration techniques, staggered grid and dual grid methods, etc. This workshop seeks to foster communication among the diverse groups of researchers designing, applying, and studying such methods as well as researchers involved in practical solution of large scale problems that may benefit from advancements in such discretizations; to help elucidate the relations between the different methods and concepts; and to generally advance our understanding in the area of compatible spatial discretization methods for PDE. Particular points of emphasis included: + Identification of intrinsic properties of PDE models that are critical for the fidelity of numerical simulations. + Identification and design of compatible spatial discretizations of PDEs, their classification, analysis, and relations. + Relationships between different compatible spatial discretization methods and concepts which have been developed; + Impact of compatible spatial discretizations upon physical fidelity, verification and validation of simulations, especially in large-scale, multiphysics settings. + How solvers address the demands placed upon them by compatible spatial discretizations. This report provides information about the program and abstracts of all the presentations.« less

The numerics of hydrostatic structured-grid coastal ocean models: State of the art and future perspectives

NASA Astrophysics Data System (ADS)

Klingbeil, Knut; Lemarié, Florian; Debreu, Laurent; Burchard, Hans

2018-05-01

The state of the art of the numerics of hydrostatic structured-grid coastal ocean models is reviewed here. First, some fundamental differences in the hydrodynamics of the coastal ocean, such as the large surface elevation variation compared to the mean water depth, are contrasted against large scale ocean dynamics. Then the hydrodynamic equations as they are used in coastal ocean models as well as in large scale ocean models are presented, including parameterisations for turbulent transports. As steps towards discretisation, coordinate transformations and spatial discretisations based on a finite-volume approach are discussed with focus on the specific requirements for coastal ocean models. As in large scale ocean models, splitting of internal and external modes is essential also for coastal ocean models, but specific care is needed when drying & flooding of intertidal flats is included. As one obvious characteristic of coastal ocean models, open boundaries occur and need to be treated in a way that correct model forcing from outside is transmitted to the model domain without reflecting waves from the inside. Here, also new developments in two-way nesting are presented. Single processes such as internal inertia-gravity waves, advection and turbulence closure models are discussed with focus on the coastal scales. Some overview on existing hydrostatic structured-grid coastal ocean models is given, including their extensions towards non-hydrostatic models. Finally, an outlook on future perspectives is made.

Evaluation of Subgrid-Scale Models for Large Eddy Simulation of Compressible Flows

NASA Technical Reports Server (NTRS)

Blaisdell, Gregory A.

1996-01-01

The objective of this project was to evaluate and develop subgrid-scale (SGS) turbulence models for large eddy simulations (LES) of compressible flows. During the first phase of the project results from LES using the dynamic SGS model were compared to those of direct numerical simulations (DNS) of compressible homogeneous turbulence. The second phase of the project involved implementing the dynamic SGS model in a NASA code for simulating supersonic flow over a flat-plate. The model has been successfully coded and a series of simulations has been completed. One of the major findings of the work is that numerical errors associated with the finite differencing scheme used in the code can overwhelm the SGS model and adversely affect the LES results. Attached to this overview are three submitted papers: 'Evaluation of the Dynamic Model for Simulations of Compressible Decaying Isotropic Turbulence'; 'The effect of the formulation of nonlinear terms on aliasing errors in spectral methods'; and 'Large-Eddy Simulation of a Spatially Evolving Compressible Boundary Layer Flow'.

Large-Eddy Simulation of Internal Flow through Human Vocal Folds

NASA Astrophysics Data System (ADS)

Lasota, Martin; Šidlof, Petr

2018-06-01

The phonatory process occurs when air is expelled from the lungs through the glottis and the pressure drop causes flow-induced oscillations of the vocal folds. The flow fields created in phonation are highly unsteady and the coherent vortex structures are also generated. For accuracy it is essential to compute on humanlike computational domain and appropriate mathematical model. The work deals with numerical simulation of air flow within the space between plicae vocales and plicae vestibulares. In addition to the dynamic width of the rima glottidis, where the sound is generated, there are lateral ventriculus laryngis and sacculus laryngis included in the computational domain as well. The paper presents the results from OpenFOAM which are obtained with a large-eddy simulation using second-order finite volume discretization of incompressible Navier-Stokes equations. Large-eddy simulations with different subgrid scale models are executed on structured mesh. In these cases are used only the subgrid scale models which model turbulence via turbulent viscosity and Boussinesq approximation in subglottal and supraglottal area in larynx.

ELEFANT: a user-friendly multipurpose geodynamics code

NASA Astrophysics Data System (ADS)

Thieulot, C.

2014-07-01

A new finite element code for the solution of the Stokes and heat transport equations is presented. It has purposely been designed to address geological flow problems in two and three dimensions at crustal and lithospheric scales. The code relies on the Marker-in-Cell technique and Lagrangian markers are used to track materials in the simulation domain which allows recording of the integrated history of deformation; their (number) density is variable and dynamically adapted. A variety of rheologies has been implemented including nonlinear thermally activated dislocation and diffusion creep and brittle (or plastic) frictional models. The code is built on the Arbitrary Lagrangian Eulerian kinematic description: the computational grid deforms vertically and allows for a true free surface while the computational domain remains of constant width in the horizontal direction. The solution to the large system of algebraic equations resulting from the finite element discretisation and linearisation of the set of coupled partial differential equations to be solved is obtained by means of the efficient parallel direct solver MUMPS whose performance is thoroughly tested, or by means of the WISMP and AGMG iterative solvers. The code accuracy is assessed by means of many geodynamically relevant benchmark experiments which highlight specific features or algorithms, e.g., the implementation of the free surface stabilisation algorithm, the (visco-)plastic rheology implementation, the temperature advection, the capacity of the code to handle large viscosity contrasts. A two-dimensional application to salt tectonics presented as case study illustrates the potential of the code to model large scale high resolution thermo-mechanically coupled free surface flows.

Transmutation of a trans-series: the Gross-Witten-Wadia phase transition

NASA Astrophysics Data System (ADS)

Ahmed, Anees; Dunne, Gerald V.

2017-11-01

We study the change in the resurgent asymptotic properties of a trans-series in two parameters, a coupling g 2 and a gauge index N, as a system passes through a large N phase transition, using the universal example of the Gross-Witten-Wadia third-order phase transition in the unitary matrix model. This transition is well-studied in the immediate vicinity of the transition point, where it is characterized by a double-scaling limit Painlevé II equation, and also away from the transition point using the pre-string difference equation. Here we present a complementary analysis of the transition at all coupling and all finite N, in terms of a differential equation, using the explicit Tracy-Widom mapping of the Gross-Witten-Wadia partition function to a solution of a Painlevé III equation. This mapping provides a simple method to generate trans-series expansions in all parameter regimes, and to study their transmutation as the parameters are varied. For example, at any finite N the weak coupling expansion is divergent, with a non-perturbative trans-series completion; on the other hand, the strong coupling expansion is convergent, and yet there is still a non-perturbative trans-series completion. We show how the different instanton terms `condense' at the transition point to match with the double-scaling limit trans-series. We also define a uniform large N strong-coupling expansion (a non-linear analogue of uniform WKB), which is much more precise than the conventional large N expansion through the transition region, and apply it to the evaluation of Wilson loops.

Reflections on conformal spectra

DOE PAGES

Kim, Hyungrok; Kravchuk, Petr; Ooguri, Hirosi

2016-04-29

Here, we use modular invariance and crossing symmetry of conformal field theory to reveal approximate reflection symmetries in the spectral decompositions of the partition function in two dimensions in the limit of large central charge and of the four-point function in any dimension in the limit of large scaling dimensions Δ 0 of external operators. We use these symmetries to motivate universal upper bounds on the spectrum and the operator product expansion coefficients, which we then derive by independent techniques. Some of the bounds for four-point functions are valid for finite Δ 0 as well as for large Δ 0.more » We discuss a similar symmetry in a large spacetime dimension limit. Finally, we comment on the analogue of the Cardy formula and sparse light spectrum condition for the four-point function.« less

Numerical studies in geophysics

NASA Astrophysics Data System (ADS)

Hier Majumder, Catherine Anne

2003-10-01

This thesis focuses on the use of modern numerical techniques in the geo- and environmental sciences. Four topics are discussed in this thesis: finite Prandtl number convection, wavelet analysis, inverse methods and data assimilation, and nuclear waste tank mixing. The finite Prandtl number convection studies examine how convection behavior changes as Prandtl numbers are increased to as high as 2 x 104, on the order of Prandtl numbers expected in very hot magmas or mushy ice diapirs. I found that there are significant differences in the convection style between finite Prandtl number convection and the infinite Prandtl number approximation even for Prandtl numbers on the order of 104. This indicates that the infinite Prandtl convection approximation might not accurately model behavior in fluids with large, but finite Prandtl numbers. The section on inverse methods and data assimilation used the technique of four dimensional variational data assimilation (4D-VAR) developed by meteorologists to integrate observations into forecasts. It was useful in studying the predictability and dependence on initial conditions of finite Prandtl simulations. This technique promises to be useful in a wide range of geological and geophysical fields, including mantle convection, hydrogeology, and sedimentology. Wavelet analysis was used to help image and scrutinize at small-scales both temperature and vorticity fields from convection simulations and the geoid. It was found to be extremely helpful in both cases. It allowed us to separate the information in the data into various spatial scales without losing the locations of the signals in space. This proved to be essential in understanding the processes producing the total signal in the datasets. The nuclear waste study showed that techniques developed in geology and geophysics can be used to solve scientific problems in other fields. I applied state-of-the-art techniques currently employed in geochemistry, sedimentology, and mantle mixing to simulate dynamical processes occurring in the course of mixing nuclear waste tanks.

A new uniformly valid asymptotic integration algorithm for elasto-plastic creep and unified viscoplastic theories including continuum damage

NASA Technical Reports Server (NTRS)

Chulya, Abhisak; Walker, Kevin P.

1991-01-01

A new scheme to integrate a system of stiff differential equations for both the elasto-plastic creep and the unified viscoplastic theories is presented. The method has high stability, allows large time increments, and is implicit and iterative. It is suitable for use with continuum damage theories. The scheme was incorporated into MARC, a commercial finite element code through a user subroutine called HYPELA. Results from numerical problems under complex loading histories are presented for both small and large scale analysis. To demonstrate the scheme's accuracy and efficiency, comparisons to a self-adaptive forward Euler method are made.

A new uniformly valid asymptotic integration algorithm for elasto-plastic-creep and unified viscoplastic theories including continuum damage

NASA Technical Reports Server (NTRS)

Chulya, A.; Walker, K. P.

1989-01-01

A new scheme to integrate a system of stiff differential equations for both the elasto-plastic creep and the unified viscoplastic theories is presented. The method has high stability, allows large time increments, and is implicit and iterative. It is suitable for use with continuum damage theories. The scheme was incorporated into MARC, a commercial finite element code through a user subroutine called HYPELA. Results from numerical problems under complex loading histories are presented for both small and large scale analysis. To demonstrate the scheme's accuracy and efficiency, comparisons to a self-adaptive forward Euler method are made.

Graphene nanoFlakes with large spin.

PubMed

Wang, Wei L; Meng, Sheng; Kaxiras, Efthimios

2008-01-01

We investigate, using benzenoid graph theory and first-principles calculations, the magnetic properties of arbitrarily shaped finite graphene fragments to which we refer as graphene nanoflakes (GNFs). We demonstrate that the spin of a GNF depends on its shape due to topological frustration of the pi-bonds. For example, a zigzag-edged triangular GNF has a nonzero net spin, resembling an artificial ferrimagnetic atom, with the spin value scaling with its linear size. In general, the principle of topological frustration can be used to introduce large net spin and interesting spin distributions in graphene. These results suggest an avenue to nanoscale spintronics through the sculpting of graphene fragments.

Accelerating large-scale simulation of seismic wave propagation by multi-GPUs and three-dimensional domain decomposition

NASA Astrophysics Data System (ADS)

Okamoto, Taro; Takenaka, Hiroshi; Nakamura, Takeshi; Aoki, Takayuki

2010-12-01

We adopted the GPU (graphics processing unit) to accelerate the large-scale finite-difference simulation of seismic wave propagation. The simulation can benefit from the high-memory bandwidth of GPU because it is a "memory intensive" problem. In a single-GPU case we achieved a performance of about 56 GFlops, which was about 45-fold faster than that achieved by a single core of the host central processing unit (CPU). We confirmed that the optimized use of fast shared memory and registers were essential for performance. In the multi-GPU case with three-dimensional domain decomposition, the non-contiguous memory alignment in the ghost zones was found to impose quite long time in data transfer between GPU and the host node. This problem was solved by using contiguous memory buffers for ghost zones. We achieved a performance of about 2.2 TFlops by using 120 GPUs and 330 GB of total memory: nearly (or more than) 2200 cores of host CPUs would be required to achieve the same performance. The weak scaling was nearly proportional to the number of GPUs. We therefore conclude that GPU computing for large-scale simulation of seismic wave propagation is a promising approach as a faster simulation is possible with reduced computational resources compared to CPUs.

Finite Larmor radius effects on weak turbulence transport

NASA Astrophysics Data System (ADS)

Kryukov, N.; Martinell, J. J.

2018-06-01

Transport of test particles in two-dimensional weak turbulence with waves propagating along the poloidal direction is studied using a reduced model. Finite Larmor radius (FLR) effects are included by gyroaveraging over one particle orbit. For low wave amplitudes the motion is mostly regular with particles trapped in the potential wells. As the amplitude increases the trajectories become chaotic and the Larmor radius modifies the orbits. For a thermal distribution of Finite Larmor radii the particle distribution function (PDF) is Gaussian for small th$ (thermal gyroradius) but becomes non-Gaussian for large th$ . However, the time scaling of transport is diffusive, as characterized by a linear dependence of the variance of the PDF with time. An explanation for this behaviour is presented that provides an expression for an effective diffusion coefficient and reproduces the numerical results for large wave amplitudes which implies generalized chaos. When a shear flow is added in the direction of wave propagation, a modified model is obtained that produces free-streaming particle trajectories in addition to trapped ones; these contribute to ballistic transport for low wave amplitude but produce super-ballistic transport in the chaotic regime. As in the previous case, the PDF is Gaussian for low th$ becoming non-Gaussian as it increases. The perpendicular transport presents the same behaviour as in the case with no flow but the diffusion is faster in the presence of the flow.

Effect of curvature squared corrections to gravitational action on viscosity-to-entropy ratio of the dual gauge theory

NASA Astrophysics Data System (ADS)

Petrov, Pavel

In this thesis we study the properties of strongly-coupled large-N conformal field theories (CFT's) using AdS/CFT correspondence. Chapter 1 serves as an introduction. In Chapter 2 we study the shear viscosity of strongly-coupled large-N conformal field theories. We find that it is affected by R2 corrections to the AdS action and present an example of 4D theory in which the the conjectured universal lower bound on viscosity-to-entropy ratio η/s > 1/4π is violated by 1/N corrections. This fact proves that there is no universal lower bound of 1/4π on viscosity-to-entropy ratio and may be relevant for the studies of QCD quark-gluon plasma for which this ratio is experimentally found to be close to 1/4π. In Chapter 3 we study the formation of the electron star in 4D AdS space. We show that in a gravity theory with charged fermions a layer of charged fermion fluid may form at a finite distance from the charged black hole. We show that these “electron stars” are candidate gravity duals for strongly interacting fermion systems at finite density and finite temperature. Entropy density for such systems scales as s ˜ T2/z at low temperatures as expected from IR criticality of electron stars solutions.

Poisson-Nernst-Planck equations for simulating biomolecular diffusion-reaction processes I: Finite element solutions

DOE Office of Scientific and Technical Information (OSTI.GOV)

Lu Benzhuo; Holst, Michael J.; Center for Theoretical Biological Physics, University of California San Diego, La Jolla, CA 92093

2010-09-20

In this paper we developed accurate finite element methods for solving 3-D Poisson-Nernst-Planck (PNP) equations with singular permanent charges for simulating electrodiffusion in solvated biomolecular systems. The electrostatic Poisson equation was defined in the biomolecules and in the solvent, while the Nernst-Planck equation was defined only in the solvent. We applied a stable regularization scheme to remove the singular component of the electrostatic potential induced by the permanent charges inside biomolecules, and formulated regular, well-posed PNP equations. An inexact-Newton method was used to solve the coupled nonlinear elliptic equations for the steady problems; while an Adams-Bashforth-Crank-Nicolson method was devised formore » time integration for the unsteady electrodiffusion. We numerically investigated the conditioning of the stiffness matrices for the finite element approximations of the two formulations of the Nernst-Planck equation, and theoretically proved that the transformed formulation is always associated with an ill-conditioned stiffness matrix. We also studied the electroneutrality of the solution and its relation with the boundary conditions on the molecular surface, and concluded that a large net charge concentration is always present near the molecular surface due to the presence of multiple species of charged particles in the solution. The numerical methods are shown to be accurate and stable by various test problems, and are applicable to real large-scale biophysical electrodiffusion problems.« less

Poisson-Nernst-Planck Equations for Simulating Biomolecular Diffusion-Reaction Processes I: Finite Element Solutions

PubMed Central

Lu, Benzhuo; Holst, Michael J.; McCammon, J. Andrew; Zhou, Y. C.

2010-01-01

In this paper we developed accurate finite element methods for solving 3-D Poisson-Nernst-Planck (PNP) equations with singular permanent charges for electrodiffusion in solvated biomolecular systems. The electrostatic Poisson equation was defined in the biomolecules and in the solvent, while the Nernst-Planck equation was defined only in the solvent. We applied a stable regularization scheme to remove the singular component of the electrostatic potential induced by the permanent charges inside biomolecules, and formulated regular, well-posed PNP equations. An inexact-Newton method was used to solve the coupled nonlinear elliptic equations for the steady problems; while an Adams-Bashforth-Crank-Nicolson method was devised for time integration for the unsteady electrodiffusion. We numerically investigated the conditioning of the stiffness matrices for the finite element approximations of the two formulations of the Nernst-Planck equation, and theoretically proved that the transformed formulation is always associated with an ill-conditioned stiffness matrix. We also studied the electroneutrality of the solution and its relation with the boundary conditions on the molecular surface, and concluded that a large net charge concentration is always present near the molecular surface due to the presence of multiple species of charged particles in the solution. The numerical methods are shown to be accurate and stable by various test problems, and are applicable to real large-scale biophysical electrodiffusion problems. PMID:21709855

Poisson-Nernst-Planck Equations for Simulating Biomolecular Diffusion-Reaction Processes I: Finite Element Solutions.

PubMed

Lu, Benzhuo; Holst, Michael J; McCammon, J Andrew; Zhou, Y C

2010-09-20

In this paper we developed accurate finite element methods for solving 3-D Poisson-Nernst-Planck (PNP) equations with singular permanent charges for electrodiffusion in solvated biomolecular systems. The electrostatic Poisson equation was defined in the biomolecules and in the solvent, while the Nernst-Planck equation was defined only in the solvent. We applied a stable regularization scheme to remove the singular component of the electrostatic potential induced by the permanent charges inside biomolecules, and formulated regular, well-posed PNP equations. An inexact-Newton method was used to solve the coupled nonlinear elliptic equations for the steady problems; while an Adams-Bashforth-Crank-Nicolson method was devised for time integration for the unsteady electrodiffusion. We numerically investigated the conditioning of the stiffness matrices for the finite element approximations of the two formulations of the Nernst-Planck equation, and theoretically proved that the transformed formulation is always associated with an ill-conditioned stiffness matrix. We also studied the electroneutrality of the solution and its relation with the boundary conditions on the molecular surface, and concluded that a large net charge concentration is always present near the molecular surface due to the presence of multiple species of charged particles in the solution. The numerical methods are shown to be accurate and stable by various test problems, and are applicable to real large-scale biophysical electrodiffusion problems.

Finite element structural redesign by large admissible perturbations

NASA Technical Reports Server (NTRS)

Bernitsas, Michael M.; Beyko, E.; Rim, C. W.; Alzahabi, B.

1991-01-01

In structural redesign, two structural states are involved; the baseline (known) State S1 with unacceptable performance, and the objective (unknown) State S2 with given performance specifications. The difference between the two states in performance and design variables may be as high as 100 percent or more depending on the scale of the structure. A Perturbation Approach to Redesign (PAR) is presented to relate any two structural states S1 and S2 that are modeled by the same finite element model and represented by different values of the design variables. General perturbation equations are derived expressing implicitly the natural frequencies, dynamic modes, static deflections, static stresses, Euler buckling loads, and buckling modes of the objective S2 in terms of its performance specifications, and S1 data and Finite Element Analysis (FEA) results. Large Admissible Perturbation (LEAP) algorithms are implemented in code RESTRUCT to define the objective S2 incrementally without trial and error by postprocessing FEA results of S1 with no additional FEAs. Systematic numerical applications in redesign of a 10 element 48 degree of freedom (dof) beam, a 104 element 192 dof offshore tower, a 64 element 216 dof plate, and a 144 element 896 dof cylindrical shell show the accuracy, efficiency, and potential of PAR to find an objective state that may differ 100 percent from the baseline design.

Scaling in biomechanical experimentation: a finite similitude approach.

PubMed

Ochoa-Cabrero, Raul; Alonso-Rasgado, Teresa; Davey, Keith

2018-06-01

Biological experimentation has many obstacles: resource limitations, unavailability of materials, manufacturing complexities and ethical compliance issues; any approach that resolves all or some of these is of some interest. The aim of this study is applying the recently discovered concept of finite similitude as a novel approach for the design of scaled biomechanical experiments supported with analysis using a commercial finite-element package and validated by means of image correlation software. The study of isotropic scaling of synthetic bones leads to the selection of three-dimensional (3D) printed materials for the trial-space materials. These materials conforming to the theory are analysed in finite-element models of a cylinder and femur geometries undergoing compression, tension, torsion and bending tests to assess the efficacy of the approach using reverse scaling of the approach. The finite-element results show similar strain patterns in the surface for the cylinder with a maximum difference of less than 10% and for the femur with a maximum difference of less than 4% across all tests. Finally, the trial-space, physical-trial experimentation using 3D printed materials for compression and bending testing provides a good agreement in a Bland-Altman statistical analysis, providing good supporting evidence for the practicality of the approach. © 2018 The Author(s).

The Impact of Varying the Physics Grid Resolution Relative to the Dynamical Core Resolution in CAM-SE-CSLAM

NASA Astrophysics Data System (ADS)

Herrington, A. R.; Lauritzen, P. H.; Reed, K. A.

2017-12-01

The spectral element dynamical core of the Community Atmosphere Model (CAM) has recently been coupled to an approximately isotropic, finite-volume grid per implementation of the conservative semi-Lagrangian multi-tracer transport scheme (CAM-SE-CSLAM; Lauritzen et al. 2017). In this framework, the semi-Lagrangian transport of tracers are computed on the finite-volume grid, while the adiabatic dynamics are solved using the spectral element grid. The physical parameterizations are evaluated on the finite-volume grid, as opposed to the unevenly spaced Gauss-Lobatto-Legendre nodes of the spectral element grid. Computing the physics on the finite-volume grid reduces numerical artifacts such as grid imprinting, possibly because the forcing terms are no longer computed at element boundaries where the resolved dynamics are least smooth. The separation of the physics grid and the dynamics grid allows for a unique opportunity to understand the resolution sensitivity in CAM-SE-CSLAM. The observed large sensitivity of CAM to horizontal resolution is a poorly understood impediment to improved simulations of regional climate using global, variable resolution grids. Here, a series of idealized moist simulations are presented in which the finite-volume grid resolution is varied relative to the spectral element grid resolution in CAM-SE-CSLAM. The simulations are carried out at multiple spectral element grid resolutions, in part to provide a companion set of simulations, in which the spectral element grid resolution is varied relative to the finite-volume grid resolution, but more generally to understand if the sensitivity to the finite-volume grid resolution is consistent across a wider spectrum of resolved scales. Results are interpreted in the context of prior ideas regarding resolution sensitivity of global atmospheric models.

High mobility of large mass movements: a study by means of FEM/DEM simulations

NASA Astrophysics Data System (ADS)

Manzella, I.; Lisjak, A.; Grasselli, G.

2013-12-01

Large mass movements, such as rock avalanches and large volcanic debris avalanches are characterized by extremely long propagation, which cannot be modelled using normal sliding friction law. For this reason several studies and theories derived from field observation, physical theories and laboratory experiments, exist to try to explain their high mobility. In order to investigate more into deep some of the processes recalled by these theories, simulations have been run with a new numerical tool called Y-GUI based on the Finite Element-Discrete Element Method FEM/DEM. The FEM/DEM method is a numerical technique developed by Munjiza et al. (1995) where Discrete Element Method (DEM) algorithms are used to model the interaction between different solids, while Finite Element Method (FEM) principles are used to analyze their deformability being also able to explicitly simulate material sudden loss of cohesion (i.e. brittle failure). In particular numerical tests have been run, inspired by the small-scale experiments done by Manzella and Labiouse (2013). They consist of rectangular blocks released on a slope; each block is a rectangular discrete element made of a mesh of finite elements enabled to fragment. These simulations have highlighted the influence on the propagation of block packing, i.e. whether the elements are piled into geometrical ordinate structure before failure or they are chaotically disposed as a loose material, and of the topography, i.e. whether the slope break is smooth and regular or not. In addition the effect of fracturing, i.e. fragmentation, on the total runout have been studied and highlighted.

A fracture criterion for widespread cracking in thin-sheet aluminum alloys

NASA Technical Reports Server (NTRS)

Newman, J. C., Jr.; Dawicke, D. S.; Sutton, M. A.; Bigelow, C. A.

1993-01-01

An elastic-plastic finite-element analysis was used with a critical crack-tip-opening angle (CTOA) fracture criterion to model stable crack growth in thin-sheet 2024-T3 aluminum alloy panels with single and multiple-site damage (MSD) cracks. Comparisons were made between critical angles determined from the analyses and those measured with photographic methods. Calculated load against crack extension and load against crack-tip displacement on single crack specimens agreed well with test data even for large-scale plastic deformations. The analyses were also able to predict the stable tearing behavior of large lead cracks in the presence of stably tearing MSD cracks. Small MSD cracks significantly reduced the residual strength for large lead cracks.

The square lattice Ising model on the rectangle II: finite-size scaling limit

NASA Astrophysics Data System (ADS)

Hucht, Alfred

2017-06-01

Based on the results published recently (Hucht 2017 J. Phys. A: Math. Theor. 50 065201), the universal finite-size contributions to the free energy of the square lattice Ising model on the L× M rectangle, with open boundary conditions in both directions, are calculated exactly in the finite-size scaling limit L, M\\to∞ , T\\to Tc , with fixed temperature scaling variable x\\propto(T/Tc-1)M and fixed aspect ratio ρ\\propto L/M . We derive exponentially fast converging series for the related Casimir potential and Casimir force scaling functions. At the critical point T=Tc we confirm predictions from conformal field theory (Cardy and Peschel 1988 Nucl. Phys. B 300 377, Kleban and Vassileva 1991 J. Phys. A: Math. Gen. 24 3407). The presence of corners and the related corner free energy has dramatic impact on the Casimir scaling functions and leads to a logarithmic divergence of the Casimir potential scaling function at criticality.

GCM Simulation of the Large-scale North American Monsoon Including Water Vapor Tracer Diagnostics

NASA Technical Reports Server (NTRS)

Bosilovich, Michael G.; Walker, Gregory; Schubert, Siegfried D.; Sud, Yogesh; Atlas, Robert M. (Technical Monitor)

2001-01-01

The geographic sources of water for the large-scale North American monsoon in a GCM are diagnosed using passive constituent tracers of regional water'sources (Water Vapor Tracers, WVT). The NASA Data Assimilation Office Finite Volume (FV) GCM was used to produce a 10-year simulation (1984 through 1993) including observed sea surface temperature. Regional and global WVT sources were defined to delineate the surface origin of water for precipitation in and around the North American i'vionsoon. The evolution of the mean annual cycle and the interannual variations of the monsoonal circulation will be discussed. Of special concern are the relative contributions of the local source (precipitation recycling) and remote sources of water vapor to the annual cycle and the interannual variation of warm season precipitation. The relationships between soil water, surface evaporation, precipitation and precipitation recycling will be evaluated.

GCM Simulation of the Large-Scale North American Monsoon Including Water Vapor Tracer Diagnostics

NASA Technical Reports Server (NTRS)

Bosilovich, Michael G.; Walker, Gregory; Schubert, Siegfried D.; Sud, Yogesh; Atlas, Robert M. (Technical Monitor)

2002-01-01

The geographic sources of water for the large scale North American monsoon in a GCM (General Circulation Model) are diagnosed using passive constituent tracers of regional water sources (Water Vapor Tracers, WVT). The NASA Data Assimilation Office Finite Volume (FV) GCM was used to produce a 10-year simulation (1984 through 1993) including observed sea surface temperature. Regional and global WVT sources were defined to delineate the surface origin of water for precipitation in and around the North American Monsoon. The evolution of the mean annual cycle and the interannual variations of the monsoonal circulation will be discussed. Of special concern are the relative contributions of the local source (precipitation recycling) and remote sources of water vapor to the annual cycle and the interannual variation of monsoonal precipitation. The relationships between soil water, surface evaporation, precipitation and precipitation recycling will be evaluated.

Source localization in electromyography using the inverse potential problem

NASA Astrophysics Data System (ADS)

van den Doel, Kees; Ascher, Uri M.; Pai, Dinesh K.

2011-02-01

We describe an efficient method for reconstructing the activity in human muscles from an array of voltage sensors on the skin surface. MRI is used to obtain morphometric data which are segmented into muscle tissue, fat, bone and skin, from which a finite element model for volume conduction is constructed. The inverse problem of finding the current sources in the muscles is solved using a careful regularization technique which adds a priori information, yielding physically reasonable solutions from among those that satisfy the basic potential problem. Several regularization functionals are considered and numerical experiments on a 2D test model are performed to determine which performs best. The resulting scheme leads to numerical difficulties when applied to large-scale 3D problems. We clarify the nature of these difficulties and provide a method to overcome them, which is shown to perform well in the large-scale problem setting.

The Space-Time Conservative Schemes for Large-Scale, Time-Accurate Flow Simulations with Tetrahedral Meshes

NASA Technical Reports Server (NTRS)

Venkatachari, Balaji Shankar; Streett, Craig L.; Chang, Chau-Lyan; Friedlander, David J.; Wang, Xiao-Yen; Chang, Sin-Chung

2016-01-01

Despite decades of development of unstructured mesh methods, high-fidelity time-accurate simulations are still predominantly carried out on structured, or unstructured hexahedral meshes by using high-order finite-difference, weighted essentially non-oscillatory (WENO), or hybrid schemes formed by their combinations. In this work, the space-time conservation element solution element (CESE) method is used to simulate several flow problems including supersonic jet/shock interaction and its impact on launch vehicle acoustics, and direct numerical simulations of turbulent flows using tetrahedral meshes. This paper provides a status report for the continuing development of the space-time conservation element solution element (CESE) numerical and software framework under the Revolutionary Computational Aerosciences (RCA) project. Solution accuracy and large-scale parallel performance of the numerical framework is assessed with the goal of providing a viable paradigm for future high-fidelity flow physics simulations.

Scalable parallel elastic-plastic finite element analysis using a quasi-Newton method with a balancing domain decomposition preconditioner

NASA Astrophysics Data System (ADS)

Yusa, Yasunori; Okada, Hiroshi; Yamada, Tomonori; Yoshimura, Shinobu

2018-04-01

A domain decomposition method for large-scale elastic-plastic problems is proposed. The proposed method is based on a quasi-Newton method in conjunction with a balancing domain decomposition preconditioner. The use of a quasi-Newton method overcomes two problems associated with the conventional domain decomposition method based on the Newton-Raphson method: (1) avoidance of a double-loop iteration algorithm, which generally has large computational complexity, and (2) consideration of the local concentration of nonlinear deformation, which is observed in elastic-plastic problems with stress concentration. Moreover, the application of a balancing domain decomposition preconditioner ensures scalability. Using the conventional and proposed domain decomposition methods, several numerical tests, including weak scaling tests, were performed. The convergence performance of the proposed method is comparable to that of the conventional method. In particular, in elastic-plastic analysis, the proposed method exhibits better convergence performance than the conventional method.

Thermophoretically induced large-scale deformations around microscopic heat centers

NASA Astrophysics Data System (ADS)

Puljiz, Mate; Orlishausen, Michael; Köhler, Werner; Menzel, Andreas M.

2016-05-01

Selectively heating a microscopic colloidal particle embedded in a soft elastic matrix is a situation of high practical relevance. For instance, during hyperthermic cancer treatment, cell tissue surrounding heated magnetic colloidal particles is destroyed. Experiments on soft elastic polymeric matrices suggest a very long-ranged, non-decaying radial component of the thermophoretically induced displacement fields around the microscopic heat centers. We theoretically confirm this conjecture using a macroscopic hydrodynamic two-fluid description. Both thermophoretic and elastic effects are included in this theory. Indeed, we find that the elasticity of the environment can cause the experimentally observed large-scale radial displacements in the embedding matrix. Additional experiments confirm the central role of elasticity. Finally, a linearly decaying radial component of the displacement field in the experiments is attributed to the finite size of the experimental sample. Similar results are obtained from our theoretical analysis under modified boundary conditions.

Simulating the interaction of the heliosphere with the local interstellar medium: MHD results from a finite volume approach, first bidimensional results

NASA Technical Reports Server (NTRS)

Chanteur, G.; Khanfir, R.

1995-01-01

We have designed a full compressible MHD code working on unstructured meshes in order to be able to compute accurately sharp structures embedded in large scale simulations. The code is based on a finite volume method making use of a kinetic flux splitting. A bidimensional version of the code has been used to simulate the interaction of a moving interstellar medium, magnetized or unmagnetized with a rotating and magnetized heliopspheric plasma source. Being aware that these computations are not realistic due to the restriction to two dimensions, we present it to demonstrate the ability of this new code to handle this problem. An axisymetric version, now under development, will be operational in a few months. Ultimately we plan to run a full 3d version.

Approximation concepts for efficient structural synthesis

NASA Technical Reports Server (NTRS)

Schmit, L. A., Jr.; Miura, H.

1976-01-01

It is shown that efficient structural synthesis capabilities can be created by using approximation concepts to mesh finite element structural analysis methods with nonlinear mathematical programming techniques. The history of the application of mathematical programming techniques to structural design optimization problems is reviewed. Several rather general approximation concepts are described along with the technical foundations of the ACCESS 1 computer program, which implements several approximation concepts. A substantial collection of structural design problems involving truss and idealized wing structures is presented. It is concluded that since the basic ideas employed in creating the ACCESS 1 program are rather general, its successful development supports the contention that the introduction of approximation concepts will lead to the emergence of a new generation of practical and efficient, large scale, structural synthesis capabilities in which finite element analysis methods and mathematical programming algorithms will play a central role.

Statistical Mechanics of Coherent Ising Machine — The Case of Ferromagnetic and Finite-Loading Hopfield Models —

NASA Astrophysics Data System (ADS)

Aonishi, Toru; Mimura, Kazushi; Utsunomiya, Shoko; Okada, Masato; Yamamoto, Yoshihisa

2017-10-01

The coherent Ising machine (CIM) has attracted attention as one of the most effective Ising computing architectures for solving large scale optimization problems because of its scalability and high-speed computational ability. However, it is difficult to implement the Ising computation in the CIM because the theories and techniques of classical thermodynamic equilibrium Ising spin systems cannot be directly applied to the CIM. This means we have to adapt these theories and techniques to the CIM. Here we focus on a ferromagnetic model and a finite loading Hopfield model, which are canonical models sharing a common mathematical structure with almost all other Ising models. We derive macroscopic equations to capture nonequilibrium phase transitions in these models. The statistical mechanical methods developed here constitute a basis for constructing evaluation methods for other Ising computation models.

Acoustic nonreciprocity in a lattice incorporating nonlinearity, asymmetry, and internal scale hierarchy: Experimental study

NASA Astrophysics Data System (ADS)

Bunyan, Jonathan; Moore, Keegan J.; Mojahed, Alireza; Fronk, Matthew D.; Leamy, Michael; Tawfick, Sameh; Vakakis, Alexander F.

2018-05-01

In linear time-invariant systems acoustic reciprocity holds by the Onsager-Casimir principle of microscopic reversibility, and it can be broken only by odd external biases, nonlinearities, or time-dependent properties. Recently it was shown that one-dimensional lattices composed of a finite number of identical nonlinear cells with internal scale hierarchy and asymmetry exhibit nonreciprocity both locally and globally. Considering a single cell composed of a large scale nonlinearly coupled to a small scale, local dynamic nonreciprocity corresponds to vibration energy transfer from the large to the small scale, but absence of energy transfer (and localization) from the small to the large scale. This has been recently proven both theoretically and experimentally. Then, considering the entire lattice, global acoustic nonreciprocity has been recently proven theoretically, corresponding to preferential energy transfer within the lattice under transient excitation applied at one of its boundaries, and absence of similar energy transfer (and localization) when the excitation is applied at its other boundary. This work provides experimental validation of the global acoustic nonreciprocity with a one-dimensional asymmetric lattice composed of three cells, with each cell incorporating nonlinearly coupled large and small scales. Due to the intentional asymmetry of the lattice, low impulsive excitations applied to one of its boundaries result in wave transmission through the lattice, whereas when the same excitations are applied to the other end, they lead in energy localization at the boundary and absence of wave transmission. This global nonreciprocity depends critically on energy (i.e., the intensity of the applied impulses), and reduced-order models recover the nonreciprocal acoustics and clarify the nonlinear mechanism generating nonreciprocity in this system.

An Investigation into the Postbuckling Response of a Single Blade-Stiffened Composite Panel

NASA Astrophysics Data System (ADS)

Spediacci, Alexander Daniel

The large strength reserves of stiffened composite structures in the postbuckling range appeal to the aerospace industry because of the high strength-to weight-ratio. Design and analysis of these large-scale, complex structures is technical, and requires major computational effort. Using the building-block approach, a smaller, single-stringer panel can be a useful and efficient tool for initial design, and can reveal critical behavior of a larger, multi-stringer panel. A characterization, through finite element modeling, of buckling and postbuckling response of a single blade-stiffened composite panel is proposed. Several factors affecting buckling and postbuckling behavior are investigated, including specimen length, initial imperfections, mode switching, and skin stringer separation. Two specimens are repeatedly tested under quasi- static compression loading well into the postbuckling range, showing no sign of damage. The test data from the specimens are used to compare and validate the nonlinear finite element models, show good correlation with the models. Ultimately, this work will serve to demonstrate the safety of stiffened structures operating in the postbuckling range and allow for thinner, lighter structures, which can increase the overall efficiency of aircraft.

An adjoint-based simultaneous estimation method of the asthenosphere's viscosity and afterslip using a fast and scalable finite-element adjoint solver

NASA Astrophysics Data System (ADS)

Agata, Ryoichiro; Ichimura, Tsuyoshi; Hori, Takane; Hirahara, Kazuro; Hashimoto, Chihiro; Hori, Muneo

2018-04-01

The simultaneous estimation of the asthenosphere's viscosity and coseismic slip/afterslip is expected to improve largely the consistency of the estimation results to observation data of crustal deformation collected in widely spread observation points, compared to estimations of slips only. Such an estimate can be formulated as a non-linear inverse problem of material properties of viscosity and input force that is equivalent to fault slips based on large-scale finite-element (FE) modeling of crustal deformation, in which the degree of freedom is in the order of 109. We formulated and developed a computationally efficient adjoint-based estimation method for this inverse problem, together with a fast and scalable FE solver for the associated forward and adjoint problems. In a numerical experiment that imitates the 2011 Tohoku-Oki earthquake, the advantage of the proposed method is confirmed by comparing the estimated results with those obtained using simplified estimation methods. The computational cost required for the optimization shows that the proposed method enabled the targeted estimation to be completed with moderate amount of computational resources.

Critical behavior and correlations on scale-free small-world networks: Application to network design

NASA Astrophysics Data System (ADS)

Ostilli, M.; Ferreira, A. L.; Mendes, J. F. F.

2011-06-01

We analyze critical phenomena on networks generated as the union of hidden variable models (networks with any desired degree sequence) with arbitrary graphs. The resulting networks are general small worlds similar to those à la Watts and Strogatz, but with a heterogeneous degree distribution. We prove that the critical behavior (thermal or percolative) remains completely unchanged by the presence of finite loops (or finite clustering). Then, we show that, in large but finite networks, correlations of two given spins may be strong, i.e., approximately power-law-like, at any temperature. Quite interestingly, if γ is the exponent for the power-law distribution of the vertex degree, for γ⩽3 and with or without short-range couplings, such strong correlations persist even in the thermodynamic limit, contradicting the common opinion that, in mean-field models, correlations always disappear in this limit. Finally, we provide the optimal choice of rewiring under which percolation phenomena in the rewired network are best performed, a natural criterion to reach best communication features, at least in noncongested regimes.

Entropy stable discontinuous interfaces coupling for the three-dimensional compressible Navier-Stokes equations

NASA Astrophysics Data System (ADS)

Parsani, Matteo; Carpenter, Mark H.; Nielsen, Eric J.

2015-06-01

Non-linear entropy stability and a summation-by-parts (SBP) framework are used to derive entropy stable interior interface coupling for the semi-discretized three-dimensional (3D) compressible Navier-Stokes equations. A complete semi-discrete entropy estimate for the interior domain is achieved combining a discontinuous entropy conservative operator of any order [1,2] with an entropy stable coupling condition for the inviscid terms, and a local discontinuous Galerkin (LDG) approach with an interior penalty (IP) procedure for the viscous terms. The viscous penalty contributions scale with the inverse of the Reynolds number (Re) so that for Re → ∞ their contributions vanish and only the entropy stable inviscid interface penalty term is recovered. This paper extends the interface couplings presented [1,2] and provides a simple and automatic way to compute the magnitude of the viscous IP term. The approach presented herein is compatible with any diagonal norm summation-by-parts (SBP) spatial operator, including finite element, finite volume, finite difference schemes and the class of high-order accurate methods which include the large family of discontinuous Galerkin discretizations and flux reconstruction schemes.

Probabilistic structural analysis methods for select space propulsion system components

NASA Technical Reports Server (NTRS)

Millwater, H. R.; Cruse, T. A.

1989-01-01

The Probabilistic Structural Analysis Methods (PSAM) project developed at the Southwest Research Institute integrates state-of-the-art structural analysis techniques with probability theory for the design and analysis of complex large-scale engineering structures. An advanced efficient software system (NESSUS) capable of performing complex probabilistic analysis has been developed. NESSUS contains a number of software components to perform probabilistic analysis of structures. These components include: an expert system, a probabilistic finite element code, a probabilistic boundary element code and a fast probability integrator. The NESSUS software system is shown. An expert system is included to capture and utilize PSAM knowledge and experience. NESSUS/EXPERT is an interactive menu-driven expert system that provides information to assist in the use of the probabilistic finite element code NESSUS/FEM and the fast probability integrator (FPI). The expert system menu structure is summarized. The NESSUS system contains a state-of-the-art nonlinear probabilistic finite element code, NESSUS/FEM, to determine the structural response and sensitivities. A broad range of analysis capabilities and an extensive element library is present.

Scaling and percolation in the small-world network model

NASA Astrophysics Data System (ADS)

Newman, M. E. J.; Watts, D. J.

1999-12-01

In this paper we study the small-world network model of Watts and Strogatz, which mimics some aspects of the structure of networks of social interactions. We argue that there is one nontrivial length-scale in the model, analogous to the correlation length in other systems, which is well-defined in the limit of infinite system size and which diverges continuously as the randomness in the network tends to zero, giving a normal critical point in this limit. This length-scale governs the crossover from large- to small-world behavior in the model, as well as the number of vertices in a neighborhood of given radius on the network. We derive the value of the single critical exponent controlling behavior in the critical region and the finite size scaling form for the average vertex-vertex distance on the network, and, using series expansion and Padé approximants, find an approximate analytic form for the scaling function. We calculate the effective dimension of small-world graphs and show that this dimension varies as a function of the length-scale on which it is measured, in a manner reminiscent of multifractals. We also study the problem of site percolation on small-world networks as a simple model of disease propagation, and derive an approximate expression for the percolation probability at which a giant component of connected vertices first forms (in epidemiological terms, the point at which an epidemic occurs). The typical cluster radius satisfies the expected finite size scaling form with a cluster size exponent close to that for a random graph. All our analytic results are confirmed by extensive numerical simulations of the model.

The algebraic theory of latent projectors in lambda matrices

NASA Technical Reports Server (NTRS)

Denman, E. D.; Leyva-Ramos, J.; Jeon, G. J.

1981-01-01

Multivariable systems such as a finite-element model of vibrating structures, control systems, and large-scale systems are often formulated in terms of differential equations which give rise to lambda matrices. The present investigation is concerned with the formulation of the algebraic theory of lambda matrices and the relationship of latent roots, latent vectors, and latent projectors to the eigenvalues, eigenvectors, and eigenprojectors of the companion form. The chain rule for latent projectors and eigenprojectors for the repeated latent root or eigenvalues is given.

International Conference on Numerical Ship Hydrodynamics (6th), Held in Iowa City, Iowa on 2-5 August 1993,

DTIC Science & Technology

1994-01-01

length scales mensional hydrofoil and tip vortex flow around a F circulation three dimensional hydrofoil. The simulated mean v molecular viscosity flow...Unstructured Grid for Free Surface Flow Simulations , by T. Hino, L. Martinelli, and A. Jameson 173 "A Semi-Implicit Semi-Lagrangian Finite Element Model...Haussling Solid-Fluid Juncture Boundary Layer and Wake with Waves, by J.E. Choi and F. Stern 215 Direct Numerical and Large-Eddy Simulations of Turbulent

Extension of On-Surface Radiation Condition (OSRC) Theory to Full-Vector Electromagnetic Wave Scattering by Three-Dimensional Conducting, Dielectric, and Coated Targets

DTIC Science & Technology

1993-08-27

rever"_? if necessary and identify by block number) FIELD SUB- GROUP Electromagnetic wave scattering, radiation boundary -. ... conditions, finite...international engineering electromagnetics symposia and in related journals has risen from a level of less than 10 per year (published primarily by my group ) to...Rzpoxs and Non -Refereed Papers: 3, as follows- I. D. S. Katz, A. Taflove, J. P. Brooks and E. Harrigan, "Large-scale methods in computational

Weak- and strong-turbulence regimes of the forced Hasegawa-Mima equation

DOE Office of Scientific and Technical Information (OSTI.GOV)

Ottaviani, M.; Krommes, J.A.

1992-11-16

A Kolmogorov-type analysis of the energy- and enstrophy-cascading ranges of a forced Hasegawa-Mima equation allows one to derive a criterion for the threshold of the transition between the weak-turbulence and the strong-turbulence regimes. Contrary to general belief, it is found that due to the inverse energy cascade the large-scale portion of the inertial range is in the strong-turbulence regime in the limit of infinite Reynolds-like numbers for any finite amount of forcing.

The finite element method for micro-scale modeling of ultrasound propagation in cancellous bone.

PubMed

Vafaeian, B; El-Rich, M; El-Bialy, T; Adeeb, S

2014-08-01

Quantitative ultrasound for bone assessment is based on the correlations between ultrasonic parameters and the properties (mechanical and physical) of cancellous bone. To elucidate the correlations, understanding the physics of ultrasound in cancellous bone is demanded. Micro-scale modeling of ultrasound propagation in cancellous bone using the finite-difference time-domain (FDTD) method has been so far utilized as one of the approaches in this regard. However, the FDTD method accompanies two disadvantages: staircase sampling of cancellous bone by finite difference grids leads to generation of wave artifacts at the solid-fluid interface inside the bone; additionally, this method cannot explicitly satisfy the needed perfect-slip conditions at the interface. To overcome these disadvantages, the finite element method (FEM) is proposed in this study. Three-dimensional finite element models of six water-saturated cancellous bone samples with different bone volume were created. The values of speed of sound (SOS) and broadband ultrasound attenuation (BUA) were calculated through the finite element simulations of ultrasound propagation in each sample. Comparing the results with other experimental and simulation studies demonstrated the capabilities of the FEM for micro-scale modeling of ultrasound in water-saturated cancellous bone. Copyright © 2014 Elsevier B.V. All rights reserved.

Performance of an MPI-only semiconductor device simulator on a quad socket/quad core InfiniBand platform.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Shadid, John Nicolas; Lin, Paul Tinphone

2009-01-01

This preliminary study considers the scaling and performance of a finite element (FE) semiconductor device simulator on a capacity cluster with 272 compute nodes based on a homogeneous multicore node architecture utilizing 16 cores. The inter-node communication backbone for this Tri-Lab Linux Capacity Cluster (TLCC) machine is comprised of an InfiniBand interconnect. The nonuniform memory access (NUMA) nodes consist of 2.2 GHz quad socket/quad core AMD Opteron processors. The performance results for this study are obtained with a FE semiconductor device simulation code (Charon) that is based on a fully-coupled Newton-Krylov solver with domain decomposition and multilevel preconditioners. Scaling andmore » multicore performance results are presented for large-scale problems of 100+ million unknowns on up to 4096 cores. A parallel scaling comparison is also presented with the Cray XT3/4 Red Storm capability platform. The results indicate that an MPI-only programming model for utilizing the multicore nodes is reasonably efficient on all 16 cores per compute node. However, the results also indicated that the multilevel preconditioner, which is critical for large-scale capability type simulations, scales better on the Red Storm machine than the TLCC machine.« less

Neurite, a Finite Difference Large Scale Parallel Program for the Simulation of Electrical Signal Propagation in Neurites under Mechanical Loading

PubMed Central

García-Grajales, Julián A.; Rucabado, Gabriel; García-Dopico, Antonio; Peña, José-María; Jérusalem, Antoine

2015-01-01

With the growing body of research on traumatic brain injury and spinal cord injury, computational neuroscience has recently focused its modeling efforts on neuronal functional deficits following mechanical loading. However, in most of these efforts, cell damage is generally only characterized by purely mechanistic criteria, functions of quantities such as stress, strain or their corresponding rates. The modeling of functional deficits in neurites as a consequence of macroscopic mechanical insults has been rarely explored. In particular, a quantitative mechanically based model of electrophysiological impairment in neuronal cells, Neurite, has only very recently been proposed. In this paper, we present the implementation details of this model: a finite difference parallel program for simulating electrical signal propagation along neurites under mechanical loading. Following the application of a macroscopic strain at a given strain rate produced by a mechanical insult, Neurite is able to simulate the resulting neuronal electrical signal propagation, and thus the corresponding functional deficits. The simulation of the coupled mechanical and electrophysiological behaviors requires computational expensive calculations that increase in complexity as the network of the simulated cells grows. The solvers implemented in Neurite—explicit and implicit—were therefore parallelized using graphics processing units in order to reduce the burden of the simulation costs of large scale scenarios. Cable Theory and Hodgkin-Huxley models were implemented to account for the electrophysiological passive and active regions of a neurite, respectively, whereas a coupled mechanical model accounting for the neurite mechanical behavior within its surrounding medium was adopted as a link between electrophysiology and mechanics. This paper provides the details of the parallel implementation of Neurite, along with three different application examples: a long myelinated axon, a segmented dendritic tree, and a damaged axon. The capabilities of the program to deal with large scale scenarios, segmented neuronal structures, and functional deficits under mechanical loading are specifically highlighted. PMID:25680098

Landau damping of electrostatic waves in arbitrarily degenerate quantum plasmas

DOE Office of Scientific and Technical Information (OSTI.GOV)

Rightley, Shane, E-mail: shane.rightley@colorado.edu; Uzdensky, Dmitri, E-mail: uzdensky@colorado.edu

2016-03-15

We carry out a systematic study of the dispersion relation for linear electrostatic waves in an arbitrarily degenerate quantum electron plasma. We solve for the complex frequency spectrum for arbitrary values of wavenumber k and level of degeneracy μ. Our finding is that for large k and high μ the real part of the frequency ω{sub r} grows linearly with k and scales with μ, only because of the scaling of the Fermi energy. In this regime, the relative Landau damping rate γ/ω{sub r} becomes independent of k and varies inversely with μ. Thus, damping is weak but finite atmore » moderate levels of degeneracy for short wavelengths.« less

Partition of unity finite element method for quantum mechanical materials calculations

DOE Office of Scientific and Technical Information (OSTI.GOV)

Pask, J. E.; Sukumar, N.

The current state of the art for large-scale quantum-mechanical simulations is the planewave (PW) pseudopotential method, as implemented in codes such as VASP, ABINIT, and many others. However, since the PW method uses a global Fourier basis, with strictly uniform resolution at all points in space, it suffers from substantial inefficiencies in calculations involving atoms with localized states, such as first-row and transition-metal atoms, and requires significant nonlocal communications, which limit parallel efficiency. Real-space methods such as finite-differences (FD) and finite-elements (FE) have partially addressed both resolution and parallel-communications issues but have been plagued by one key disadvantage relative tomore » PW: excessive number of degrees of freedom (basis functions) needed to achieve the required accuracies. In this paper, we present a real-space partition of unity finite element (PUFE) method to solve the Kohn–Sham equations of density functional theory. In the PUFE method, we build the known atomic physics into the solution process using partition-of-unity enrichment techniques in finite element analysis. The method developed herein is completely general, applicable to metals and insulators alike, and particularly efficient for deep, localized potentials, as occur in calculations at extreme conditions of pressure and temperature. Full self-consistent Kohn–Sham calculations are presented for LiH, involving light atoms, and CeAl, involving heavy atoms with large numbers of atomic-orbital enrichments. We find that the new PUFE approach attains the required accuracies with substantially fewer degrees of freedom, typically by an order of magnitude or more, than the PW method. As a result, we compute the equation of state of LiH and show that the computed lattice constant and bulk modulus are in excellent agreement with reference PW results, while requiring an order of magnitude fewer degrees of freedom to obtain.« less

Partition of unity finite element method for quantum mechanical materials calculations

DOE PAGES

Pask, J. E.; Sukumar, N.

2016-11-09

The current state of the art for large-scale quantum-mechanical simulations is the planewave (PW) pseudopotential method, as implemented in codes such as VASP, ABINIT, and many others. However, since the PW method uses a global Fourier basis, with strictly uniform resolution at all points in space, it suffers from substantial inefficiencies in calculations involving atoms with localized states, such as first-row and transition-metal atoms, and requires significant nonlocal communications, which limit parallel efficiency. Real-space methods such as finite-differences (FD) and finite-elements (FE) have partially addressed both resolution and parallel-communications issues but have been plagued by one key disadvantage relative tomore » PW: excessive number of degrees of freedom (basis functions) needed to achieve the required accuracies. In this paper, we present a real-space partition of unity finite element (PUFE) method to solve the Kohn–Sham equations of density functional theory. In the PUFE method, we build the known atomic physics into the solution process using partition-of-unity enrichment techniques in finite element analysis. The method developed herein is completely general, applicable to metals and insulators alike, and particularly efficient for deep, localized potentials, as occur in calculations at extreme conditions of pressure and temperature. Full self-consistent Kohn–Sham calculations are presented for LiH, involving light atoms, and CeAl, involving heavy atoms with large numbers of atomic-orbital enrichments. We find that the new PUFE approach attains the required accuracies with substantially fewer degrees of freedom, typically by an order of magnitude or more, than the PW method. As a result, we compute the equation of state of LiH and show that the computed lattice constant and bulk modulus are in excellent agreement with reference PW results, while requiring an order of magnitude fewer degrees of freedom to obtain.« less

Large-Scale Multiphase Flow Modeling of Hydrocarbon Migration and Fluid Sequestration in Faulted Cenozoic Sedimentary Basins, Southern California

NASA Astrophysics Data System (ADS)

Jung, B.; Garven, G.; Boles, J. R.

2011-12-01

Major fault systems play a first-order role in controlling fluid migration in the Earth's crust, and also in the genesis/preservation of hydrocarbon reservoirs in young sedimentary basins undergoing deformation, and therefore understanding the geohydrology of faults is essential for the successful exploration of energy resources. For actively deforming systems like the Santa Barbara Basin and Los Angeles Basin, we have found it useful to develop computational geohydrologic models to study the various coupled and nonlinear processes affecting multiphase fluid migration, including relative permeability, anisotropy, heterogeneity, capillarity, pore pressure, and phase saturation that affect hydrocarbon mobility within fault systems and to search the possible hydrogeologic conditions that enable the natural sequestration of prolific hydrocarbon reservoirs in these young basins. Subsurface geology, reservoir data (fluid pressure-temperature-chemistry), structural reconstructions, and seismic profiles provide important constraints for model geometry and parameter testing, and provide critical insight on how large-scale faults and aquifer networks influence the distribution and the hydrodynamics of liquid and gas-phase hydrocarbon migration. For example, pore pressure changes at a methane seepage site on the seafloor have been carefully analyzed to estimate large-scale fault permeability, which helps to constrain basin-scale natural gas migration models for the Santa Barbara Basin. We have developed our own 2-D multiphase finite element/finite IMPES numerical model, and successfully modeled hydrocarbon gas/liquid movement for intensely faulted and heterogeneous basin profiles of the Los Angeles Basin. Our simulations suggest that hydrocarbon reservoirs that are today aligned with the Newport-Inglewood Fault Zone were formed by massive hydrocarbon flows from deeply buried source beds in the central synclinal region during post-Miocene time. Fault permeability, capillarity forces between the fault and juxtaposition of aquifers/aquitards, source oil saturation, and rate of generation control the efficiency of a petroleum trap and carbon sequestration. This research is focused on natural processes in real geologic systems, but our results will also contribute to an understanding of the subsurface behavior of injected anthropogenic greenhouse gases, especially when targeted storage sites may be influenced by regional faults, which are ubiquitous in the Earth's crust.

A machine learning approach for efficient uncertainty quantification using multiscale methods

NASA Astrophysics Data System (ADS)

Chan, Shing; Elsheikh, Ahmed H.

2018-02-01

Several multiscale methods account for sub-grid scale features using coarse scale basis functions. For example, in the Multiscale Finite Volume method the coarse scale basis functions are obtained by solving a set of local problems over dual-grid cells. We introduce a data-driven approach for the estimation of these coarse scale basis functions. Specifically, we employ a neural network predictor fitted using a set of solution samples from which it learns to generate subsequent basis functions at a lower computational cost than solving the local problems. The computational advantage of this approach is realized for uncertainty quantification tasks where a large number of realizations has to be evaluated. We attribute the ability to learn these basis functions to the modularity of the local problems and the redundancy of the permeability patches between samples. The proposed method is evaluated on elliptic problems yielding very promising results.

Application of 'steady' state finite element and transient finite difference theory to sound propagation in a variable duct - A comparison with experiment

NASA Technical Reports Server (NTRS)

Baumeister, K. J.; Eversman, W.; Astley, R. J.; White, J. W.

1981-01-01

Experimental data are presented for sound propagation in a simulated infinite hard wall duct with a large change in duct cross sectional area. The data are conveniently tabulated for further use. The 'steady' state finite element theory of Astley and Eversman (1981) and the transient finite difference theory of White (1981) are in good agreement with the data for both the axial and transverse pressure profiles and the axial phase angle. Therefore, numerical finite difference and finite element theories appear to be ideally suited for handling duct propagation problems which encounter large axial gradients in acoustic parameters. The measured energy reflection coefficient agrees with the values from the Astley-Eversman modal coupling model.

Parallelized Three-Dimensional Resistivity Inversion Using Finite Elements And Adjoint State Methods

NASA Astrophysics Data System (ADS)

Schaa, Ralf; Gross, Lutz; Du Plessis, Jaco

2015-04-01

The resistivity method is one of the oldest geophysical exploration methods, which employs one pair of electrodes to inject current into the ground and one or more pairs of electrodes to measure the electrical potential difference. The potential difference is a non-linear function of the subsurface resistivity distribution described by an elliptic partial differential equation (PDE) of the Poisson type. Inversion of measured potentials solves for the subsurface resistivity represented by PDE coefficients. With increasing advances in multichannel resistivity acquisition systems (systems with more than 60 channels and full waveform recording are now emerging), inversion software require efficient storage and solver algorithms. We developed the finite element solver Escript, which provides a user-friendly programming environment in Python to solve large-scale PDE-based problems (see https://launchpad.net/escript-finley). Using finite elements, highly irregular shaped geology and topography can readily be taken into account. For the 3D resistivity problem, we have implemented the secondary potential approach, where the PDE is decomposed into a primary potential caused by the source current and the secondary potential caused by changes in subsurface resistivity. The primary potential is calculated analytically, and the boundary value problem for the secondary potential is solved using nodal finite elements. This approach removes the singularity caused by the source currents and provides more accurate 3D resistivity models. To solve the inversion problem we apply a 'first optimize then discretize' approach using the quasi-Newton scheme in form of the limited-memory Broyden-Fletcher-Goldfarb-Shanno (L-BFGS) method (see Gross & Kemp 2013). The evaluation of the cost function requires the solution of the secondary potential PDE for each source current and the solution of the corresponding adjoint-state PDE for the cost function gradients with respect to the subsurface resistivity. The Hessian of the regularization term is used as preconditioner which requires an additional PDE solution in each iteration step. As it turns out, the relevant PDEs are naturally formulated in the finite element framework. Using the domain decomposition method provided in Escript, the inversion scheme has been parallelized for distributed memory computers with multi-core shared memory nodes. We show numerical examples from simple layered models to complex 3D models and compare with the results from other methods. The inversion scheme is furthermore tested on a field data example to characterise localised freshwater discharge in a coastal environment.. References: L. Gross and C. Kemp (2013) Large Scale Joint Inversion of Geophysical Data using the Finite Element Method in escript. ASEG Extended Abstracts 2013, http://dx.doi.org/10.1071/ASEG2013ab306

Design synthesis and optimization of permanent magnet synchronous machines based on computationally-efficient finite element analysis

NASA Astrophysics Data System (ADS)

Sizov, Gennadi Y.

In this dissertation, a model-based multi-objective optimal design of permanent magnet ac machines, supplied by sine-wave current regulated drives, is developed and implemented. The design procedure uses an efficient electromagnetic finite element-based solver to accurately model nonlinear material properties and complex geometric shapes associated with magnetic circuit design. Application of an electromagnetic finite element-based solver allows for accurate computation of intricate performance parameters and characteristics. The first contribution of this dissertation is the development of a rapid computational method that allows accurate and efficient exploration of large multi-dimensional design spaces in search of optimum design(s). The computationally efficient finite element-based approach developed in this work provides a framework of tools that allow rapid analysis of synchronous electric machines operating under steady-state conditions. In the developed modeling approach, major steady-state performance parameters such as, winding flux linkages and voltages, average, cogging and ripple torques, stator core flux densities, core losses, efficiencies and saturated machine winding inductances, are calculated with minimum computational effort. In addition, the method includes means for rapid estimation of distributed stator forces and three-dimensional effects of stator and/or rotor skew on the performance of the machine. The second contribution of this dissertation is the development of the design synthesis and optimization method based on a differential evolution algorithm. The approach relies on the developed finite element-based modeling method for electromagnetic analysis and is able to tackle large-scale multi-objective design problems using modest computational resources. Overall, computational time savings of up to two orders of magnitude are achievable, when compared to current and prevalent state-of-the-art methods. These computational savings allow one to expand the optimization problem to achieve more complex and comprehensive design objectives. The method is used in the design process of several interior permanent magnet industrial motors. The presented case studies demonstrate that the developed finite element-based approach practically eliminates the need for using less accurate analytical and lumped parameter equivalent circuit models for electric machine design optimization. The design process and experimental validation of the case-study machines are detailed in the dissertation.

ADHydro: A Large-scale High Resolution Multi-Physics Distributed Water Resources Model for Water Resource Simulations in a Parallel Computing Environment

NASA Astrophysics Data System (ADS)

lai, W.; Steinke, R. C.; Ogden, F. L.

2013-12-01

Physics-based watershed models are useful tools for hydrologic studies, water resources management and economic analyses in the contexts of climate, land-use, and water-use changes. This poster presents development of a physics-based, high-resolution, distributed water resources model suitable for simulating large watersheds in a massively parallel computing environment. Developing this model is one of the objectives of the NSF EPSCoR RII Track II CI-WATER project, which is joint between Wyoming and Utah. The model, which we call ADHydro, is aimed at simulating important processes in the Rocky Mountain west, includes: rainfall and infiltration, snowfall and snowmelt in complex terrain, vegetation and evapotranspiration, soil heat flux and freezing, overland flow, channel flow, groundwater flow and water management. The ADHydro model uses the explicit finite volume method to solve PDEs for 2D overland flow, 2D saturated groundwater flow coupled to 1D channel flow. The model has a quasi-3D formulation that couples 2D overland flow and 2D saturated groundwater flow using the 1D Talbot-Ogden finite water-content infiltration and redistribution model. This eliminates difficulties in solving the highly nonlinear 3D Richards equation, while the finite volume Talbot-Ogden infiltration solution is computationally efficient, guaranteed to conserve mass, and allows simulation of the effect of near-surface groundwater tables on runoff generation. The process-level components of the model are being individually tested and validated. The model as a whole will be tested on the Green River basin in Wyoming and ultimately applied to the entire Upper Colorado River basin. ADHydro development has necessitated development of tools for large-scale watershed modeling, including open-source workflow steps to extract hydromorphological information from GIS data, integrate hydrometeorological and water management forcing input, and post-processing and visualization of large output data sets. The ADHydro model will be coupled with relevant components of the NOAH-MP land surface scheme and the WRF mesoscale meteorological model. Model objectives include well documented Application Programming Interfaces (APIs) to facilitate modifications and additions by others. We will release the model as open-source in 2014 and begin establishing a users' community.

A Finite Element Framework for Studying the Mechanical Response of Macromolecules: Application to the Gating of the Mechanosensitive Channel MscL

PubMed Central

Tang, Yuye; Cao, Guoxin; Chen, Xi; Yoo, Jejoong; Yethiraj, Arun; Cui, Qiang

2006-01-01

The gating pathways of mechanosensitive channels of large conductance (MscL) in two bacteria (Mycobacterium tuberculosis and Escherichia coli) are studied using the finite element method. The phenomenological model treats transmembrane helices as elastic rods and the lipid membrane as an elastic sheet of finite thickness; the model is inspired by the crystal structure of MscL. The interactions between various continuum components are derived from molecular-mechanics energy calculations using the CHARMM all-atom force field. Both bacterial MscLs open fully upon in-plane tension in the membrane and the variation of pore diameter with membrane tension is found to be essentially linear. The estimated gating tension is close to the experimental value. The structural variations along the gating pathway are consistent with previous analyses based on structural models with experimental constraints and biased atomistic molecular-dynamics simulations. Upon membrane bending, neither MscL opens substantially, although there is notable and nonmonotonic variation in the pore radius. This emphasizes that the gating behavior of MscL depends critically on the form of the mechanical perturbation and reinforces the idea that the crucial gating parameter is lateral tension in the membrane rather than the curvature of the membrane. Compared to popular all-atom-based techniques such as targeted or steered molecular-dynamics simulations, the finite element method-based continuum-mechanics framework offers a unique alternative to bridge detailed intermolecular interactions and biological processes occurring at large spatial scales and long timescales. It is envisioned that such a hierarchical multiscale framework will find great value in the study of a variety of biological processes involving complex mechanical deformations such as muscle contraction and mechanotransduction. PMID:16731564

A multi-scale homogenization model for fine-grained porous viscoplastic polycrystals: I - Finite-strain theory

NASA Astrophysics Data System (ADS)

Song, Dawei; Ponte Castañeda, P.

2018-06-01

We make use of the recently developed iterated second-order homogenization method to obtain finite-strain constitutive models for the macroscopic response of porous polycrystals consisting of large pores randomly distributed in a fine-grained polycrystalline matrix. The porous polycrystal is modeled as a three-scale composite, where the grains are described by single-crystal viscoplasticity and the pores are assumed to be large compared to the grain size. The method makes use of a linear comparison composite (LCC) with the same substructure as the actual nonlinear composite, but whose local properties are chosen optimally via a suitably designed variational statement. In turn, the effective properties of the resulting three-scale LCC are determined by means of a sequential homogenization procedure, utilizing the self-consistent estimates for the effective behavior of the polycrystalline matrix, and the Willis estimates for the effective behavior of the porous composite. The iterated homogenization procedure allows for a more accurate characterization of the properties of the matrix by means of a finer "discretization" of the properties of the LCC to obtain improved estimates, especially at low porosities, high nonlinearties and high triaxialities. In addition, consistent homogenization estimates for the average strain rate and spin fields in the pores and grains are used to develop evolution laws for the substructural variables, including the porosity, pore shape and orientation, as well as the "crystallographic" and "morphological" textures of the underlying matrix. In Part II of this work has appeared in Song and Ponte Castañeda (2018b), the model will be used to generate estimates for both the instantaneous effective response and the evolution of the microstructure for porous FCC and HCP polycrystals under various loading conditions.

Seismic waveform sensitivity to global boundary topography

NASA Astrophysics Data System (ADS)

Colombi, Andrea; Nissen-Meyer, Tarje; Boschi, Lapo; Giardini, Domenico

2012-09-01

We investigate the implications of lateral variations in the topography of global seismic discontinuities, in the framework of high-resolution forward modelling and seismic imaging. We run 3-D wave-propagation simulations accurate at periods of 10 s and longer, with Earth models including core-mantle boundary topography anomalies of ˜1000 km spatial wavelength and up to 10 km height. We obtain very different waveform signatures for PcP (reflected) and Pdiff (diffracted) phases, supporting the theoretical expectation that the latter are sensitive primarily to large-scale structure, whereas the former only to small scale, where large and small are relative to the frequency. PcP at 10 s seems to be well suited to map such a small-scale perturbation, whereas Pdiff at the same frequency carries faint signatures that do not allow any tomographic reconstruction. Only at higher frequency, the signature becomes stronger. We present a new algorithm to compute sensitivity kernels relating seismic traveltimes (measured by cross-correlation of observed and theoretical seismograms) to the topography of seismic discontinuities at any depth in the Earth using full 3-D wave propagation. Calculation of accurate finite-frequency sensitivity kernels is notoriously expensive, but we reduce computational costs drastically by limiting ourselves to spherically symmetric reference models, and exploiting the axial symmetry of the resulting propagating wavefield that collapses to a 2-D numerical domain. We compute and analyse a suite of kernels for upper and lower mantle discontinuities that can be used for finite-frequency waveform inversion. The PcP and Pdiff sensitivity footprints are in good agreement with the result obtained cross-correlating perturbed and unperturbed seismogram, validating our approach against full 3-D modelling to invert for such structures.

A 2-D Interface Element for Coupled Analysis of Independently Modeled 3-D Finite Element Subdomains

NASA Technical Reports Server (NTRS)

Kandil, Osama A.

1998-01-01

Over the past few years, the development of the interface technology has provided an analysis framework for embedding detailed finite element models within finite element models which are less refined. This development has enabled the use of cascading substructure domains without the constraint of coincident nodes along substructure boundaries. The approach used for the interface element is based on an alternate variational principle often used in deriving hybrid finite elements. The resulting system of equations exhibits a high degree of sparsity but gives rise to a non-positive definite system which causes difficulties with many of the equation solvers in general-purpose finite element codes. Hence the global system of equations is generally solved using, a decomposition procedure with pivoting. The research reported to-date for the interface element includes the one-dimensional line interface element and two-dimensional surface interface element. Several large-scale simulations, including geometrically nonlinear problems, have been reported using the one-dimensional interface element technology; however, only limited applications are available for the surface interface element. In the applications reported to-date, the geometry of the interfaced domains exactly match each other even though the spatial discretization within each domain may be different. As such, the spatial modeling of each domain, the interface elements and the assembled system is still laborious. The present research is focused on developing a rapid modeling procedure based on a parametric interface representation of independently defined subdomains which are also independently discretized.

The quantum Ising chain with a generalized defect

NASA Astrophysics Data System (ADS)

Grimm, Uwe

1990-08-01

The finite-size scaling properties of the quantum Ising chain with different types of generalized defects are studied. This not only means an alteration of the coupling constant as previously examined, but also an additional arbitrary transformation in the algebra of observables at one site of the chain. One can distinguish between two classes of generalized defects: on the one hand those which do not affect the finite-size integrability of the Ising chain, and on the other hand those that destroy this property. In this context, finite-size integrability is always understood as a synonym for the possibility to write the hamiltonian of the finite chain as a bilinear expression in fermionic operators by means of a Jordan-Wigner transformation. Concerning the first type of defect, an exact solution for the scaling spectrum is obtained for the most universal defect that preserves the global Z2 symmetry of the chain. It is shown that in the continuum limit this yields the same result as for one properly chosen ordinary defect, that is changing the coupling constant only, and thus the finite-size scaling spectra can be described by irreps of a shifted u(1) Kac-Moody algebra. The other type of defect is examined by means of numerical finite-size calculations. In contrast to the first case, these calculations suggest a non-continuous dependence of the scaling dimensions on the defect parameters. A conjecture for the operator content involving only one primary field of a Virasoro algebra with central charge c= {1}/{2} is given.

Finite-Size Scaling for the Baxter-Wu Model Using Block Distribution Functions

NASA Astrophysics Data System (ADS)

Velonakis, Ioannis N.; Hadjiagapiou, Ioannis A.

2018-05-01

In the present work, we present an alternative way of applying the well-known finite-size scaling (FSS) theory in the case of a Baxter-Wu model using Binder-like blocks. Binder's ideas are extended to estimate phase transition points and the corresponding scaling exponents not only for magnetic but also for energy properties, saving computational time and effort. The vast majority of our conclusions can be easily generalized to other models.

From nonfinite to finite 1D arrays of origami tiles.

PubMed

Wu, Tsai Chin; Rahman, Masudur; Norton, Michael L

2014-06-17

CONSPECTUS: DNA based nanotechnology provides a basis for high-resolution fabrication of objects almost without physical size limitations. However, the pathway to large-scale production of large objects is currently unclear. Operationally, one method forward is to use high information content, large building blocks, which can be generated with high yield and reproducibility. Although flat DNA origami naturally invites comparison to pixels in zero, one, and two dimensions and voxels in three dimensions and has provided an excellent mechanism for generating blocks of significant size and complexity and a multitude of shapes, the field is young enough that a single "brick" has not become the standard platform used by the majority of researchers in the field. In this Account, we highlight factors we considered that led to our adoption of a cross-shaped, non-space-filling origami species, designed by Dr. Liu of the Seeman laboratory, as the building block ideal for use in the fabrication of finite one-dimensional arrays. Three approaches that can be employed for uniquely coding origami-origami linkages are presented. Such coding not only provides the energetics for tethering the species but also uniquely designates the relative orientation of the origami building blocks. The strength of the coding approach implemented in our laboratory is demonstrated using examples of oligomers ranging from finite multimers composed of four, six, and eight origami structures to semi-infinite polymers (100mers). Two approaches to finite array design and the series of assembly steps that each requires are discussed. The process of AFM observation for array characterization is presented as a critical case study. For these soft species, the array images do not simply present the solution phase geometry projected onto a two-dimensional surface. There are additional perturbations associated with fluidic forces associated with sample preparation. At this time, reconstruction of the "true" or average solution structures for blocks is more readily achieved using computer models than using direct imaging methods. The development of scalable 1D-origami arrays composed of uniquely addressable components is a logical, if not necessary, step in the evolution of higher order fully addressable structures. Our research into the fabrication of arrays has led us to generate a listing of several important areas of future endeavor. Of high importance is the re-enforcement of the mechanical properties of the building blocks and the organization of multiple arrays on a surface of technological importance. While addressing this short list of barriers to progress will prove challenging, coherent development along each of these lines of inquiry will accelerate the appearance of commercial scale molecular manufacturing.

Pseudo-incompressible, finite-amplitude gravity waves: wave trains and stability

NASA Astrophysics Data System (ADS)

Schlutow, Mark; Klein, Rupert

2017-04-01

Based on weak asymptotic WKB-like solutions for two-dimensional atmospheric gravity waves (GWs) traveling wave solutions (wave trains) are derived and analyzed with respect to stability. A systematic multiple-scale analysis using the ratio of the dominant wavelength and the scale height as a scale separation parameter is applied on the fully compressible Euler equations. A distinguished limit favorable for GWs close to static instability, reveals that pseudo-incompressible rather than Boussinesq theory applies. A spectral expansion including a mean flow, combined with the additional WKB assumption of slowly varying phases and amplitudes, is used to find general weak asymptotic solutions. This ansatz allows for arbitrarily strong, non-uniform stratification and holds even for finite-amplitude waves. It is deduced that wave trains as leading order solutions can only exist if either some non-uniform background stratification is given but the wave train propagates only horizontally or if the wave train velocity vector is given but the background is isothermal. For the first case, general analytical solutions are obtained that may be used to model mountain lee waves. For the second case with the additional assumption of horizontal periodicity, upward propagating wave train fronts were found. These wave train fronts modify the mean flow beyond the non-acceleration theorem. Stability analysis reveal that they are intrinsically modulationally unstable. The range of validity for the scale separation parameter was tested with fully nonlinear simulations. Even for large values an excellent agreement with the theory was found.

Fracture analysis of stiffened panels under biaxial loading with widespread cracking

NASA Technical Reports Server (NTRS)

Newman, J. C., Jr.; Dawicke, D. S.

1995-01-01

An elastic-plastic finite-element analysis with a critical crack-tip-opening angle (CTOA) fracture criterion was used to model stable crack growth and fracture of 2024-T3 aluminum alloy (bare and clad) panels for several thicknesses. The panels had either single or multiple-site damage (MSD) cracks subjected to uniaxial or biaxial loading. Analyses were also conducted on cracked stiffened panels with single or MSD cracks. The critical CTOA value for each thickness was determined by matching the failure load on a middle-crack tension specimen. Comparisons were made between the critical angles determined from the finite-element analyses and those measured with photographic methods. Predicted load-against-crack extension and failure loads for panels under biaxial loading, panels with MSD cracks, and panels with various number of stiffeners were compared with test data, whenever possible. The predicted results agreed well with the test data even for large-scale plastic deformations. The analyses were also able to predict stable tearing behavior of a large lead crack in the presence of MSD cracks. The analyses were then used to study the influence of stiffeners on residual strength in the presence of widespread fatigue cracking. Small MSD cracks were found to greatly reduce the residual strength for large lead cracks even for stiffened panels.

Fracture analysis of stiffened panels under biaxial loading with widespread cracking

NASA Technical Reports Server (NTRS)

Newman, J. C., Jr.

1995-01-01

An elastic-plastic finite-element analysis with a critical crack-tip opening angle (CTOA) fracture criterion was used to model stable crack growth and fracture of 2024-T3 aluminum alloy (bare and clad) panels for several thicknesses. The panels had either single or multiple-site damage (MSD) cracks subjected to uniaxial or biaxial loading. Analyses were also conducted on cracked stiffened panels with single or MSD cracks. The critical CTOA value for each thickness was determined by matching the failure load on a middle-crack tension specimen. Comparisons were made between the critical angles determined from the finite-element analyses and those measured with photographic methods. Predicted load-against-crack extension and failure loads for panels under biaxial loading, panels with MSD cracks, and panels with various numbers of stiffeners were compared with test data whenever possible. The predicted results agreed well with the test data even for large-scale plastic deformations. The analyses were also able to predict stable tearing behavior of a large lead crack in the presence of MSD cracks. The analyses were then used to study the influence of stiffeners on residual strength in the presence of widespread fatigue cracking. Small MSD cracks were found to greatly reduce the residual strength for large lead cracks even for stiffened panels.

Large-eddy simulation of flow past a circular cylinder

NASA Technical Reports Server (NTRS)

Mittal, R.

1995-01-01

Some of the most challenging applications of large-eddy simulation are those in complex geometries where spectral methods are of limited use. For such applications more conventional methods such as finite difference or finite element have to be used. However, it has become clear in recent years that dissipative numerical schemes which are routinely used in viscous flow simulations are not good candidates for use in LES of turbulent flows. Except in cases where the flow is extremely well resolved, it has been found that upwind schemes tend to damp out a significant portion of the small scales that can be resolved on the grid. Furthermore, it has been found that even specially designed higher-order upwind schemes that have been used successfully in the direct numerical simulation of turbulent flows produce too much dissipation when used in conjunction with large-eddy simulation. The objective of the current study is to perform a LES of incompressible flow past a circular cylinder at a Reynolds number of 3900 using a solver which employs an energy-conservative second-order central difference scheme for spatial discretization and compare the results obtained with those of Beaudan & Moin (1994) and with the experiments in order to assess the performance of the central scheme for this relatively complex geometry.

A progress report on estuary modeling by the finite-element method

USGS Publications Warehouse

Gray, William G.

1978-01-01

Various schemes are investigated for finite-element modeling of two-dimensional surface-water flows. The first schemes investigated combine finite-element spatial discretization with split-step time stepping schemes that have been found useful in finite-difference computations. Because of the large number of numerical integrations performed in space and the large sparse matrices solved, these finite-element schemes were found to be economically uncompetitive with finite-difference schemes. A very promising leapfrog scheme is proposed which, when combined with a novel very fast spatial integration procedure, eliminates the need to solve any matrices at all. Additional problems attacked included proper propagation of waves and proper specification of the normal flow-boundary condition. This report indicates work in progress and does not come to a definitive conclusion as to the best approach for finite-element modeling of surface-water problems. The results presented represent findings obtained between September 1973 and July 1976. (Woodard-USGS)

Large-eddy simulations of a forced homogeneous isotropic turbulence with polymer additives

NASA Astrophysics Data System (ADS)

Wang, Lu; Cai, Wei-Hua; Li, Feng-Chen

2014-03-01

Large-eddy simulations (LES) based on the temporal approximate deconvolution model were performed for a forced homogeneous isotropic turbulence (FHIT) with polymer additives at moderate Taylor Reynolds number. Finitely extensible nonlinear elastic in the Peterlin approximation model was adopted as the constitutive equation for the filtered conformation tensor of the polymer molecules. The LES results were verified through comparisons with the direct numerical simulation results. Using the LES database of the FHIT in the Newtonian fluid and the polymer solution flows, the polymer effects on some important parameters such as strain, vorticity, drag reduction, and so forth were studied. By extracting the vortex structures and exploring the flatness factor through a high-order correlation function of velocity derivative and wavelet analysis, it can be found that the small-scale vortex structures and small-scale intermittency in the FHIT are all inhibited due to the existence of the polymers. The extended self-similarity scaling law in the polymer solution flow shows no apparent difference from that in the Newtonian fluid flow at the currently simulated ranges of Reynolds and Weissenberg numbers.

General characteristics of relative dispersion in the ocean

NASA Astrophysics Data System (ADS)

Corrado, Raffaele; Lacorata, Guglielmo; Palatella, Luigi; Santoleri, Rosalia; Zambianchi, Enrico

2017-04-01

The multi-scale and nonlinear nature of the ocean dynamics dramatically affects the spreading of matter, like pollutants, marine litter, etc., of physical and chemical seawater properties, and the biological connectivity inside and among different basins. Based on the Finite-Scale Lyapunov Exponent analysis of the largest available near-surface Lagrangian data set from the Global Drifter Program, our results show that, despite the large variety of flow features, relative dispersion can ultimately be described by a few parameters common to all ocean sub-basins, at least in terms of order of magnitude. This provides valuable information to undertake Lagrangian dispersion studies by means of models and/or of observational data. Moreover, our results show that the relative dispersion rates measured at submesoscale are significantly higher than for large-scale dynamics. Auxiliary analysis of high resolution GPS-tracked drifter hourly data as well as of the drogued/undrogued status of the buoys is provided in support of our conclusions. A possible application of our study, concerning reverse drifter motion and error growth analysis, is proposed relatively to the case of the missing Malaysia Airlines MH370 aircraft.

General characteristics of relative dispersion in the ocean.

PubMed

Corrado, Raffaele; Lacorata, Guglielmo; Palatella, Luigi; Santoleri, Rosalia; Zambianchi, Enrico

2017-04-11

The multi-scale and nonlinear nature of the ocean dynamics dramatically affects the spreading of matter, like pollutants, marine litter, etc., of physical and chemical seawater properties, and the biological connectivity inside and among different basins. Based on the Finite-Scale Lyapunov Exponent analysis of the largest available near-surface Lagrangian data set from the Global Drifter Program, our results show that, despite the large variety of flow features, relative dispersion can ultimately be described by a few parameters common to all ocean sub-basins, at least in terms of order of magnitude. This provides valuable information to undertake Lagrangian dispersion studies by means of models and/or of observational data. Moreover, our results show that the relative dispersion rates measured at submesoscale are significantly higher than for large-scale dynamics. Auxiliary analysis of high resolution GPS-tracked drifter hourly data as well as of the drogued/undrogued status of the buoys is provided in support of our conclusions. A possible application of our study, concerning reverse drifter motion and error growth analysis, is proposed relatively to the case of the missing Malaysia Airlines MH370 aircraft.

General characteristics of relative dispersion in the ocean

PubMed Central

Corrado, Raffaele; Lacorata, Guglielmo; Palatella, Luigi; Santoleri, Rosalia; Zambianchi, Enrico

2017-01-01

The multi-scale and nonlinear nature of the ocean dynamics dramatically affects the spreading of matter, like pollutants, marine litter, etc., of physical and chemical seawater properties, and the biological connectivity inside and among different basins. Based on the Finite-Scale Lyapunov Exponent analysis of the largest available near-surface Lagrangian data set from the Global Drifter Program, our results show that, despite the large variety of flow features, relative dispersion can ultimately be described by a few parameters common to all ocean sub-basins, at least in terms of order of magnitude. This provides valuable information to undertake Lagrangian dispersion studies by means of models and/or of observational data. Moreover, our results show that the relative dispersion rates measured at submesoscale are significantly higher than for large-scale dynamics. Auxiliary analysis of high resolution GPS-tracked drifter hourly data as well as of the drogued/undrogued status of the buoys is provided in support of our conclusions. A possible application of our study, concerning reverse drifter motion and error growth analysis, is proposed relatively to the case of the missing Malaysia Airlines MH370 aircraft. PMID:28397797

Load Diffusion in Composite Structures

NASA Technical Reports Server (NTRS)

Horgan, Cornelius O.; Simmonds, J. G.

2000-01-01

This research has been concerned with load diffusion in composite structures. Fundamental solid mechanics studies were carried out to provide a basis for assessing the complicated modeling necessary for large scale structures used by NASA. An understanding of the fundamental mechanisms of load diffusion in composite subcomponents is essential in developing primary composite structures. Analytical models of load diffusion behavior are extremely valuable in building an intuitive base for developing refined modeling strategies and assessing results from finite element analyses. The decay behavior of stresses and other field quantities provides a significant aid towards this process. The results are also amendable to parameter study with a large parameter space and should be useful in structural tailoring studies.

Adaptive-Grid Methods for Phase Field Models of Microstructure Development

NASA Technical Reports Server (NTRS)

Provatas, Nikolas; Goldenfeld, Nigel; Dantzig, Jonathan A.

1999-01-01

In this work the authors show how the phase field model can be solved in a computationally efficient manner that opens a new large-scale simulational window on solidification physics. Our method uses a finite element, adaptive-grid formulation, and exploits the fact that the phase and temperature fields vary significantly only near the interface. We illustrate how our method allows efficient simulation of phase-field models in very large systems, and verify the predictions of solvability theory at intermediate undercooling. We then present new results at low undercoolings that suggest that solvability theory may not give the correct tip speed in that regime. We model solidification using the phase-field model used by Karma and Rappel.

Very Large Data Volumes Analysis of Collaborative Systems with Finite Number of States

ERIC Educational Resources Information Center

Ivan, Ion; Ciurea, Cristian; Pavel, Sorin

2010-01-01

The collaborative system with finite number of states is defined. A very large database is structured. Operations on large databases are identified. Repetitive procedures for collaborative systems operations are derived. The efficiency of such procedures is analyzed. (Contains 6 tables, 5 footnotes and 3 figures.)

Simulation of wave propagation in three-dimensional random media

NASA Astrophysics Data System (ADS)

Coles, Wm. A.; Filice, J. P.; Frehlich, R. G.; Yadlowsky, M.

1995-04-01

Quantitative error analyses for the simulation of wave propagation in three-dimensional random media, when narrow angular scattering is assumed, are presented for plane-wave and spherical-wave geometry. This includes the errors that result from finite grid size, finite simulation dimensions, and the separation of the two-dimensional screens along the propagation direction. Simple error scalings are determined for power-law spectra of the random refractive indices of the media. The effects of a finite inner scale are also considered. The spatial spectra of the intensity errors are calculated and compared with the spatial spectra of

Extended self-similarity in the two-dimensional metal-insulator transition

NASA Astrophysics Data System (ADS)

Moriconi, L.

2003-09-01

We show that extended self-similarity, a scaling phenomenon first observed in classical turbulent flows, holds for a two-dimensional metal-insulator transition that belongs to the universality class of random Dirac fermions. Deviations from multifractality, which in turbulence are due to the dominance of diffusive processes at small scales, appear in the condensed-matter context as a large-scale, finite-size effect related to the imposition of an infrared cutoff in the field theory formulation. We propose a phenomenological interpretation of extended self-similarity in the metal-insulator transition within the framework of the random β-model description of multifractal sets. As a natural step, our discussion is bridged to the analysis of strange attractors, where crossovers between multifractal and nonmultifractal regimes are found and extended self-similarity turns out to be verified as well.

Response to a small external force and fluctuations of a passive particle in a one-dimensional diffusive environment

NASA Astrophysics Data System (ADS)

Huveneers, François

2018-04-01

We investigate the long-time behavior of a passive particle evolving in a one-dimensional diffusive random environment, with diffusion constant D . We consider two cases: (a) The particle is pulled forward by a small external constant force and (b) there is no systematic bias. Theoretical arguments and numerical simulations provide evidence that the particle is eventually trapped by the environment. This is diagnosed in two ways: The asymptotic speed of the particle scales quadratically with the external force as it goes to zero, and the fluctuations scale diffusively in the unbiased environment, up to possible logarithmic corrections in both cases. Moreover, in the large D limit (homogenized regime), we find an important transient region giving rise to other, finite-size scalings, and we describe the crossover to the true asymptotic behavior.

Modeling deformation and chaining of flexible shells in a nematic solvent with finite elements on an adaptive moving mesh

NASA Astrophysics Data System (ADS)

DeBenedictis, Andrew; Atherton, Timothy J.; Rodarte, Andrea L.; Hirst, Linda S.

2018-03-01

A micrometer-scale elastic shell immersed in a nematic liquid crystal may be deformed by the host if the cost of deformation is comparable to the cost of elastic deformation of the nematic. Moreover, such inclusions interact and form chains due to quadrupolar distortions induced in the host. A continuum theory model using finite elements is developed for this system, using mesh regularization and dynamic refinement to ensure quality of the numerical representation even for large deformations. From this model, we determine the influence of the shell elasticity, nematic elasticity, and anchoring condition on the shape of the shell and hence extract parameter values from an experimental realization. Extending the model to multibody interactions, we predict the alignment angle of the chain with respect to the host nematic as a function of aspect ratio, which is found to be in excellent agreement with experiments.

Robust optimization of front members in a full frontal car impact

NASA Astrophysics Data System (ADS)

Aspenberg (né Lönn), David; Jergeus, Johan; Nilsson, Larsgunnar

2013-03-01

In the search for lightweight automobile designs, it is necessary to assure that robust crashworthiness performance is achieved. Structures that are optimized to handle a finite number of load cases may perform poorly when subjected to various dispersions. Thus, uncertainties must be accounted for in the optimization process. This article presents an approach to optimization where all design evaluations include an evaluation of the robustness. Metamodel approximations are applied both to the design space and the robustness evaluations, using artifical neural networks and polynomials, respectively. The features of the robust optimization approach are displayed in an analytical example, and further demonstrated in a large-scale design example of front side members of a car. Different optimization formulations are applied and it is shown that the proposed approach works well. It is also concluded that a robust optimization puts higher demands on the finite element model performance than normally.

Simulating Thin Sheets: Buckling, Wrinkling, Folding and Growth

NASA Astrophysics Data System (ADS)

Vetter, Roman; Stoop, Norbert; Wittel, Falk K.; Herrmann, Hans J.

2014-03-01

Numerical simulations of thin sheets undergoing large deformations are computationally challenging. Depending on the scenario, they may spontaneously buckle, wrinkle, fold, or crumple. Nature's thin tissues often experience significant anisotropic growth, which can act as the driving force for such instabilities. We use a recently developed finite element model to simulate the rich variety of nonlinear responses of Kirchhoff-Love sheets. The model uses subdivision surface shape functions in order to guarantee convergence of the method, and to allow a finite element description of anisotropically growing sheets in the classical Rayleigh-Ritz formalism. We illustrate the great potential in this approach by simulating the inflation of airbags, the buckling of a stretched cylinder, as well as the formation and scaling of wrinkles at free boundaries of growing sheets. Finally, we compare the folding of spatially confined sheets subject to growth and shrinking confinement to find that the two processes are equivalent.

A program for calculating photonic band structures, Green's functions and transmission/reflection coefficients using a non-orthogonal FDTD method

NASA Astrophysics Data System (ADS)

Ward, A. J.; Pendry, J. B.

2000-06-01

In this paper we present an updated version of our ONYX program for calculating photonic band structures using a non-orthogonal finite difference time domain method. This new version employs the same transparent formalism as the first version with the same capabilities for calculating photonic band structures or causal Green's functions but also includes extra subroutines for the calculation of transmission and reflection coefficients. Both the electric and magnetic fields are placed onto a discrete lattice by approximating the spacial and temporal derivatives with finite differences. This results in discrete versions of Maxwell's equations which can be used to integrate the fields forwards in time. The time required for a calculation using this method scales linearly with the number of real space points used in the discretization so the technique is ideally suited to handling systems with large and complicated unit cells.

A NEW THREE-DIMENSIONAL SOLAR WIND MODEL IN SPHERICAL COORDINATES WITH A SIX-COMPONENT GRID

DOE Office of Scientific and Technical Information (OSTI.GOV)

Feng, Xueshang; Zhang, Man; Zhou, Yufen, E-mail: fengx@spaceweather.ac.cn

In this paper, we introduce a new three-dimensional magnetohydrodynamics numerical model to simulate the steady state ambient solar wind from the solar surface to 215 R {sub s} or beyond, and the model adopts a splitting finite-volume scheme based on a six-component grid system in spherical coordinates. By splitting the magnetohydrodynamics equations into a fluid part and a magnetic part, a finite volume method can be used for the fluid part and a constrained-transport method able to maintain the divergence-free constraint on the magnetic field can be used for the magnetic induction part. This new second-order model in space andmore » time is validated when modeling the large-scale structure of the solar wind. The numerical results for Carrington rotation 2064 show its ability to produce structured solar wind in agreement with observations.« less

Coarse-grained mechanics of viral shells

NASA Astrophysics Data System (ADS)

Klug, William S.; Gibbons, Melissa M.

2008-03-01

We present an approach for creating three-dimensional finite element models of viral capsids from atomic-level structural data (X-ray or cryo-EM). The models capture heterogeneous geometric features and are used in conjunction with three-dimensional nonlinear continuum elasticity to simulate nanoindentation experiments as performed using atomic force microscopy. The method is extremely flexible; able to capture varying levels of detail in the three-dimensional structure. Nanoindentation simulations are presented for several viruses: Hepatitis B, CCMV, HK97, and φ29. In addition to purely continuum elastic models a multiscale technique is developed that combines finite-element kinematics with MD energetics such that large-scale deformations are facilitated by a reduction in degrees of freedom. Simulations of these capsid deformation experiments provide a testing ground for the techniques, as well as insight into the strength-determining mechanisms of capsid deformation. These methods can be extended as a framework for modeling other proteins and macromolecular structures in cell biology.

Static and fatigue testing of full-scale fuselage panels fabricated using a Therm-X(R) process

NASA Technical Reports Server (NTRS)

Dinicola, Albert J.; Kassapoglou, Christos; Chou, Jack C.

1992-01-01

Large, curved, integrally stiffened composite panels representative of an aircraft fuselage structure were fabricated using a Therm-X process, an alternative concept to conventional two-sided hard tooling and contour vacuum bagging. Panels subsequently were tested under pure shear loading in both static and fatigue regimes to assess the adequacy of the manufacturing process, the effectiveness of damage tolerant design features co-cured with the structure, and the accuracy of finite element and closed-form predictions of postbuckling capability and failure load. Test results indicated the process yielded panels of high quality and increased damage tolerance through suppression of common failure modes such as skin-stiffener separation and frame-stiffener corner failure. Finite element analyses generally produced good predictions of postbuckled shape, and a global-local modelling technique yielded failure load predictions that were within 7% of the experimental mean.

Study on fluid-structure interaction in liquid oxygen feeding pipe systems using finite volume method

NASA Astrophysics Data System (ADS)

Wei, Xin; Sun, Bing

2011-10-01

The fluid-structure interaction may occur in space launch vehicles, which would lead to bad performance of vehicles, damage equipments on vehicles, or even affect astronauts' health. In this paper, analysis on dynamic behavior of liquid oxygen (LOX) feeding pipe system in a large scale launch vehicle is performed, with the effect of fluid-structure interaction (FSI) taken into consideration. The pipe system is simplified as a planar FSI model with Poisson coupling and junction coupling. Numerical tests on pipes between the tank and the pump are solved by the finite volume method. Results show that restrictions weaken the interaction between axial and lateral vibrations. The reasonable results regarding frequencies and modes indicate that the FSI affects substantially the dynamic analysis, and thus highlight the usefulness of the proposed model. This study would provide a reference to the pipe test, as well as facilitate further studies on oscillation suppression.

ISCFD Nagoya 1989 - International Symposium on Computational Fluid Dynamics, 3rd, Nagoya, Japan, Aug. 28-31, 1989, Technical Papers

NASA Astrophysics Data System (ADS)

Recent advances in computational fluid dynamics are discussed in reviews and reports. Topics addressed include large-scale LESs for turbulent pipe and channel flows, numerical solutions of the Euler and Navier-Stokes equations on parallel computers, multigrid methods for steady high-Reynolds-number flow past sudden expansions, finite-volume methods on unstructured grids, supersonic wake flow on a blunt body, a grid-characteristic method for multidimensional gas dynamics, and CIC numerical simulation of a wave boundary layer. Consideration is given to vortex simulations of confined two-dimensional jets, supersonic viscous shear layers, spectral methods for compressible flows, shock-wave refraction at air/water interfaces, oscillatory flow in a two-dimensional collapsible channel, the growth of randomness in a spatially developing wake, and an efficient simplex algorithm for the finite-difference and dynamic linear-programming method in optimal potential control.

Assessment of sub-grid scale dispersion closure with regularized deconvolution method in a particle-laden turbulent jet

NASA Astrophysics Data System (ADS)

Wang, Qing; Zhao, Xinyu; Ihme, Matthias

2017-11-01

Particle-laden turbulent flows are important in numerous industrial applications, such as spray combustion engines, solar energy collectors etc. It is of interests to study this type of flows numerically, especially using large-eddy simulations (LES). However, capturing the turbulence-particle interaction in LES remains challenging due to the insufficient representation of the effect of sub-grid scale (SGS) dispersion. In the present work, a closure technique for the SGS dispersion using regularized deconvolution method (RDM) is assessed. RDM was proposed as the closure for the SGS dispersion in a counterflow spray that is studied numerically using finite difference method on a structured mesh. A presumed form of LES filter is used in the simulations. In the present study, this technique has been extended to finite volume method with an unstructured mesh, where no presumption on the filter form is required. The method is applied to a series of particle-laden turbulent jets. Parametric analyses of the model performance are conducted for flows with different Stokes numbers and Reynolds numbers. The results from LES will be compared against experiments and direct numerical simulations (DNS).

Stochastic density functional theory at finite temperatures

NASA Astrophysics Data System (ADS)

Cytter, Yael; Rabani, Eran; Neuhauser, Daniel; Baer, Roi

2018-03-01

Simulations in the warm dense matter regime using finite temperature Kohn-Sham density functional theory (FT-KS-DFT), while frequently used, are computationally expensive due to the partial occupation of a very large number of high-energy KS eigenstates which are obtained from subspace diagonalization. We have developed a stochastic method for applying FT-KS-DFT, that overcomes the bottleneck of calculating the occupied KS orbitals by directly obtaining the density from the KS Hamiltonian. The proposed algorithm scales as O (" close=")N3T3)">N T-1 and is compared with the high-temperature limit scaling O Stochastic Oscillation in Self-Organized Critical States of Small Systems: Sensitive Resting State in Neural Systems

NASA Astrophysics Data System (ADS)

Wang, Sheng-Jun; Ouyang, Guang; Guang, Jing; Zhang, Mingsha; Wong, K. Y. Michael; Zhou, Changsong

2016-01-01

Self-organized critical states (SOCs) and stochastic oscillations (SOs) are simultaneously observed in neural systems, which appears to be theoretically contradictory since SOCs are characterized by scale-free avalanche sizes but oscillations indicate typical scales. Here, we show that SOs can emerge in SOCs of small size systems due to temporal correlation between large avalanches at the finite-size cutoff, resulting from the accumulation-release process in SOCs. In contrast, the critical branching process without accumulation-release dynamics cannot exhibit oscillations. The reconciliation of SOCs and SOs is demonstrated both in the sandpile model and robustly in biologically plausible neuronal networks. The oscillations can be suppressed if external inputs eliminate the prominent slow accumulation process, providing a potential explanation of the widely studied Berger effect or event-related desynchronization in neural response. The features of neural oscillations and suppression are confirmed during task processing in monkey eye-movement experiments. Our results suggest that finite-size, columnar neural circuits may play an important role in generating neural oscillations around the critical states, potentially enabling functional advantages of both SOCs and oscillations for sensitive response to transient stimuli.

Neural network disturbance observer-based distributed finite-time formation tracking control for multiple unmanned helicopters.

PubMed

Wang, Dandan; Zong, Qun; Tian, Bailing; Shao, Shikai; Zhang, Xiuyun; Zhao, Xinyi

2018-02-01

The distributed finite-time formation tracking control problem for multiple unmanned helicopters is investigated in this paper. The control object is to maintain the positions of follower helicopters in formation with external interferences. The helicopter model is divided into a second order outer-loop subsystem and a second order inner-loop subsystem based on multiple-time scale features. Using radial basis function neural network (RBFNN) technique, we first propose a novel finite-time multivariable neural network disturbance observer (FMNNDO) to estimate the external disturbance and model uncertainty, where the neural network (NN) approximation errors can be dynamically compensated by adaptive law. Next, based on FMNNDO, a distributed finite-time formation tracking controller and a finite-time attitude tracking controller are designed using the nonsingular fast terminal sliding mode (NFTSM) method. In order to estimate the second derivative of the virtual desired attitude signal, a novel finite-time sliding mode integral filter is designed. Finally, Lyapunov analysis and multiple-time scale principle ensure the realization of control goal in finite-time. The effectiveness of the proposed FMNNDO and controllers are then verified by numerical simulations. Copyright © 2017 ISA. Published by Elsevier Ltd. All rights reserved.

Finite-size scaling for discontinuous nonequilibrium phase transitions

NASA Astrophysics Data System (ADS)

de Oliveira, Marcelo M.; da Luz, M. G. E.; Fiore, Carlos E.

2018-06-01

A finite-size scaling theory, originally developed only for transitions to absorbing states [Phys. Rev. E 92, 062126 (2015), 10.1103/PhysRevE.92.062126], is extended to distinct sorts of discontinuous nonequilibrium phase transitions. Expressions for quantities such as response functions, reduced cumulants, and equal area probability distributions are derived from phenomenological arguments. Irrespective of system details, all these quantities scale with the volume, establishing the dependence on size. The approach generality is illustrated through the analysis of different models. The present results are a relevant step in trying to unify the scaling behavior description of nonequilibrium transition processes.

Comparing stochastic point-source and finite-source ground-motion simulations: SMSIM and EXSIM

USGS Publications Warehouse

Boore, D.M.

2009-01-01

Comparisons of ground motions from two widely used point-source and finite-source ground-motion simulation programs (SMSIM and EXSIM) show that the following simple modifications in EXSIM will produce agreement in the motions from a small earthquake at a large distance for the two programs: (1) base the scaling of high frequencies on the integral of the squared Fourier acceleration spectrum; (2) do not truncate the time series from each subfault; (3) use the inverse of the subfault corner frequency for the duration of motions from each subfault; and (4) use a filter function to boost spectral amplitudes at frequencies near and less than the subfault corner frequencies. In addition, for SMSIM an effective distance is defined that accounts for geometrical spreading and anelastic attenuation from various parts of a finite fault. With these modifications, the Fourier and response spectra from SMSIM and EXSIM are similar to one another, even close to a large earthquake (M 7), when the motions are averaged over a random distribution of hypocenters. The modifications to EXSIM remove most of the differences in the Fourier spectra from simulations using pulsing and static subfaults; they also essentially eliminate any dependence of the EXSIM simulations on the number of subfaults. Simulations with the revised programs suggest that the results of Atkinson and Boore (2006), computed using an average stress parameter of 140 bars and the original version of EXSIM, are consistent with the revised EXSIM with a stress parameter near 250 bars.

Modal Substructuring of Geometrically Nonlinear Finite Element Models with Interface Reduction

DOE Office of Scientific and Technical Information (OSTI.GOV)

Kuether, Robert J.; Allen, Matthew S.; Hollkamp, Joseph J.

Substructuring methods have been widely used in structural dynamics to divide large, complicated finite element models into smaller substructures. For linear systems, many methods have been developed to reduce the subcomponents down to a low order set of equations using a special set of component modes, and these are then assembled to approximate the dynamics of a large scale model. In this paper, a substructuring approach is developed for coupling geometrically nonlinear structures, where each subcomponent is drastically reduced to a low order set of nonlinear equations using a truncated set of fixedinterface and characteristic constraint modes. The method usedmore » to extract the coefficients of the nonlinear reduced order model (NLROM) is non-intrusive in that it does not require any modification to the commercial FEA code, but computes the NLROM from the results of several nonlinear static analyses. The NLROMs are then assembled to approximate the nonlinear differential equations of the global assembly. The method is demonstrated on the coupling of two geometrically nonlinear plates with simple supports at all edges. The plates are joined at a continuous interface through the rotational degrees-of-freedom (DOF), and the nonlinear normal modes (NNMs) of the assembled equations are computed to validate the models. The proposed substructuring approach reduces a 12,861 DOF nonlinear finite element model down to only 23 DOF, while still accurately reproducing the first three NNMs of the full order model.« less

Modal Substructuring of Geometrically Nonlinear Finite Element Models with Interface Reduction

DOE PAGES

Kuether, Robert J.; Allen, Matthew S.; Hollkamp, Joseph J.

2017-03-29

Substructuring methods have been widely used in structural dynamics to divide large, complicated finite element models into smaller substructures. For linear systems, many methods have been developed to reduce the subcomponents down to a low order set of equations using a special set of component modes, and these are then assembled to approximate the dynamics of a large scale model. In this paper, a substructuring approach is developed for coupling geometrically nonlinear structures, where each subcomponent is drastically reduced to a low order set of nonlinear equations using a truncated set of fixedinterface and characteristic constraint modes. The method usedmore » to extract the coefficients of the nonlinear reduced order model (NLROM) is non-intrusive in that it does not require any modification to the commercial FEA code, but computes the NLROM from the results of several nonlinear static analyses. The NLROMs are then assembled to approximate the nonlinear differential equations of the global assembly. The method is demonstrated on the coupling of two geometrically nonlinear plates with simple supports at all edges. The plates are joined at a continuous interface through the rotational degrees-of-freedom (DOF), and the nonlinear normal modes (NNMs) of the assembled equations are computed to validate the models. The proposed substructuring approach reduces a 12,861 DOF nonlinear finite element model down to only 23 DOF, while still accurately reproducing the first three NNMs of the full order model.« less

Computational study of culture conditions and nutrient supply in a hollow membrane sheet bioreactor for large-scale bone tissue engineering.

PubMed

Khademi, Ramin; Mohebbi-Kalhori, Davod; Hadjizadeh, Afra

2014-03-01

Successful bone tissue culture in a large implant is still a challenge. We have previously developed a porous hollow membrane sheet (HMSh) for tissue engineering applications (Afra Hadjizadeh and Davod Mohebbi-Kalhori, J Biomed. Mater. Res. Part A [2]). This study aims to investigate culture conditions and nutrient supply in a bioreactor made of HMSh. For this purpose, hydrodynamic and mass transport behavior in the newly proposed hollow membrane sheet bioreactor including a lumen region and porous membrane (scaffold) for supporting and feeding cells with a grooved section for accommodating gel-cell matrix was numerically studied. A finite element method was used for solving the governing equations in both homogenous and porous media. Furthermore, the cell resistance and waste production have been included in a 3D mathematical model. The influences of different bioreactor design parameters and the scaffold properties which determine the HMSh bioreactor performance and various operating conditions were discussed in detail. The obtained results illustrated that the novel scaffold can be employed in the large-scale applications in bone tissue engineering.

Average dynamics of a finite set of coupled phase oscillators

DOE Office of Scientific and Technical Information (OSTI.GOV)

Dima, Germán C., E-mail: gdima@df.uba.ar; Mindlin, Gabriel B.

2014-06-15

We study the solutions of a dynamical system describing the average activity of an infinitely large set of driven coupled excitable units. We compared their topological organization with that reconstructed from the numerical integration of finite sets. In this way, we present a strategy to establish the pertinence of approximating the dynamics of finite sets of coupled nonlinear units by the dynamics of its infinitely large surrogate.

Average dynamics of a finite set of coupled phase oscillators

PubMed Central

Dima, Germán C.; Mindlin, Gabriel B.

2014-01-01

We study the solutions of a dynamical system describing the average activity of an infinitely large set of driven coupled excitable units. We compared their topological organization with that reconstructed from the numerical integration of finite sets. In this way, we present a strategy to establish the pertinence of approximating the dynamics of finite sets of coupled nonlinear units by the dynamics of its infinitely large surrogate. PMID:24985426

Average dynamics of a finite set of coupled phase oscillators.

PubMed

Dima, Germán C; Mindlin, Gabriel B

2014-06-01

We study the solutions of a dynamical system describing the average activity of an infinitely large set of driven coupled excitable units. We compared their topological organization with that reconstructed from the numerical integration of finite sets. In this way, we present a strategy to establish the pertinence of approximating the dynamics of finite sets of coupled nonlinear units by the dynamics of its infinitely large surrogate.

Two-dimensional Ising model on random lattices with constant coordination number

NASA Astrophysics Data System (ADS)

Schrauth, Manuel; Richter, Julian A. J.; Portela, Jefferson S. E.

2018-02-01

We study the two-dimensional Ising model on networks with quenched topological (connectivity) disorder. In particular, we construct random lattices of constant coordination number and perform large-scale Monte Carlo simulations in order to obtain critical exponents using finite-size scaling relations. We find disorder-dependent effective critical exponents, similar to diluted models, showing thus no clear universal behavior. Considering the very recent results for the two-dimensional Ising model on proximity graphs and the coordination number correlation analysis suggested by Barghathi and Vojta [Phys. Rev. Lett. 113, 120602 (2014), 10.1103/PhysRevLett.113.120602], our results indicate that the planarity and connectedness of the lattice play an important role on deciding whether the phase transition is stable against quenched topological disorder.

An evaluation of proposed acoustic treatments for the NASA LaRC 4 x 7 meter wind tunnel

NASA Technical Reports Server (NTRS)

Abrahamson, A. L.

1985-01-01

The NASA LaRC 4 x 7 Meter Wind Tunnel is an existing facility specially designed for powered low speed (V/STOL) testing of large scale fixed wing and rotorcraft models. The enhancement of the facility for scale model acoustic testing is examined. The results are critically reviewed and comparisons are drawn with a similar wind tunnel (the DNW Facility in the Netherlands). Discrepancies observed in the comparison stimulated a theoretical investigation using the acoustic finite element ADAM System, of the ways in which noise propagating around the tunnel circuit radiates into the open test section. The reasons for the discrepancies noted above are clarified and assists in the selection of acoustic treatment options for the facility.

Coherent and radiative couplings through two-dimensional structured environments

NASA Astrophysics Data System (ADS)

Galve, F.; Zambrini, R.

2018-03-01

We study coherent and radiative interactions induced among two or more quantum units by coupling them to two-dimensional (2D) lattices acting as structured environments. This model can be representative of atoms trapped near photonic crystal slabs, trapped ions in Coulomb crystals, or to surface acoustic waves on piezoelectric materials, cold atoms on state-dependent optical lattices, or even circuit QED architectures, to name a few. We compare coherent and radiative contributions for the isotropic and directional regimes of emission into the lattice, for infinite and finite lattices, highlighting their differences and existing pitfalls, e.g., related to long-time or large-lattice limits. We relate the phenomenon of directionality of emission with linear-shaped isofrequency manifolds in the dispersion relation, showing a simple way to disrupt it. For finite lattices, we study further details such as the scaling of resonant number of lattice modes for the isotropic and directional regimes, and relate this behavior with known van Hove singularities in the infinite lattice limit. Furthermore, we export the understanding of emission dynamics with the decay of entanglement for two quantum, atomic or bosonic, units coupled to the 2D lattice. We analyze in some detail completely subradiant configurations of more than two atoms, which can occur in the finite lattice scenario, in contrast with the infinite lattice case. Finally, we demonstrate that induced coherent interactions for dark states are zero for the finite lattice.

Adaptive Wavelet Modeling of Geophysical Data

NASA Astrophysics Data System (ADS)

Plattner, A.; Maurer, H.; Dahmen, W.; Vorloeper, J.

2009-12-01

Despite the ever-increasing power of modern computers, realistic modeling of complex three-dimensional Earth models is still a challenging task and requires substantial computing resources. The overwhelming majority of current geophysical modeling approaches includes either finite difference or non-adaptive finite element algorithms, and variants thereof. These numerical methods usually require the subsurface to be discretized with a fine mesh to accurately capture the behavior of the physical fields. However, this may result in excessive memory consumption and computing times. A common feature of most of these algorithms is that the modeled data discretizations are independent of the model complexity, which may be wasteful when there are only minor to moderate spatial variations in the subsurface parameters. Recent developments in the theory of adaptive numerical solvers have the potential to overcome this problem. Here, we consider an adaptive wavelet based approach that is applicable to a large scope of problems, also including nonlinear problems. To the best of our knowledge such algorithms have not yet been applied in geophysics. Adaptive wavelet algorithms offer several attractive features: (i) for a given subsurface model, they allow the forward modeling domain to be discretized with a quasi minimal number of degrees of freedom, (ii) sparsity of the associated system matrices is guaranteed, which makes the algorithm memory efficient, and (iii) the modeling accuracy scales linearly with computing time. We have implemented the adaptive wavelet algorithm for solving three-dimensional geoelectric problems. To test its performance, numerical experiments were conducted with a series of conductivity models exhibiting varying degrees of structural complexity. Results were compared with a non-adaptive finite element algorithm, which incorporates an unstructured mesh to best fit subsurface boundaries. Such algorithms represent the current state-of-the-art in geoelectrical modeling. An analysis of the numerical accuracy as a function of the number of degrees of freedom revealed that the adaptive wavelet algorithm outperforms the finite element solver for simple and moderately complex models, whereas the results become comparable for models with spatially highly variable electrical conductivities. The linear dependency of the modeling error and the computing time proved to be model-independent. This feature will allow very efficient computations using large-scale models as soon as our experimental code is optimized in terms of its implementation.

Combined Influence of Free-Stream Turbulence and Favorable Pressure Gradients on Boundary Layer Transition and Heat Transfer

DTIC Science & Technology

1981-04-01

78-C-0064, Project Task No. 2307/A4 61102 F. The performance period covered by this report was from 1 Jnne 1980 to 31 March 1981. The project...Report R80-914 388-12, Sept. 1980 . 2. Blair, M. F., D. A. Bailey and R. H. Schlinker: Development of a Large Scale Wind Tunnel for the Simulation of...Two-Dimensional Potential Cascade Flow Using Finite Area Methods. AIAA Journal, Vol. 18, No. 1, Jan. 1980 . 5. Blackwell, B. F. and R. J. Moffat

Ballistic nanoindentation of polymers

NASA Astrophysics Data System (ADS)

Gotsmann, B.; Rothuizen, H.; Duerig, U.

2008-09-01

Indentation of a sharp (20 nm) cantilevered silicon tip into a polymer (SU8) surface is analyzed experimentally and through finite-element simulations. A rate effect on the microsecond scale that eases indentation is found, in contrast to the commonly observed hardening at high strain rates. The observed rate effect is discussed in terms of adiabatic heating and inertial force overshoot. The estimated magnitude of adiabatic heating is marginal, but the force overshoot itself is large enough to explain the data. The data imply that topographic patterning of a polymer at megahertz rates is feasible.

Hierarchical Parallelism in Finite Difference Analysis of Heat Conduction

NASA Technical Reports Server (NTRS)

Padovan, Joseph; Krishna, Lala; Gute, Douglas

1997-01-01

Based on the concept of hierarchical parallelism, this research effort resulted in highly efficient parallel solution strategies for very large scale heat conduction problems. Overall, the method of hierarchical parallelism involves the partitioning of thermal models into several substructured levels wherein an optimal balance into various associated bandwidths is achieved. The details are described in this report. Overall, the report is organized into two parts. Part 1 describes the parallel modelling methodology and associated multilevel direct, iterative and mixed solution schemes. Part 2 establishes both the formal and computational properties of the scheme.

Mesoscopic Free Path of Nonthermalized Photogenerated Carriers in a Ferroelectric Insulator.

PubMed

Gu, Zongquan; Imbrenda, Dominic; Bennett-Jackson, Andrew L; Falmbigl, Matthias; Podpirka, Adrian; Parker, Thomas C; Shreiber, Daniel; Ivill, Mathew P; Fridkin, Vladimir M; Spanier, Jonathan E

2017-03-03

We show how finite-size scaling of a bulk photovoltaic effect-generated electric field in epitaxial ferroelectric insulating BaTiO_{3}(001) films and a photo-Hall response involving the bulk photovoltaic current reveal a large room-temperature mean free path of photogenerated nonthermalized electrons. Experimental determination of mesoscopic ballistic optically generated carrier transport opens a new paradigm for hot electron-based solar energy conversion, and for facile control of ballistic transport distinct from existing low-dimensional semiconductor interfaces, surfaces, layers, or other structures.

Correlation buildup during recrystallization in three-dimensional dusty plasma clusters

DOE Office of Scientific and Technical Information (OSTI.GOV)

Schella, André; Mulsow, Matthias; Melzer, André

2014-05-15

The recrystallization process of finite three-dimensional dust clouds after laser heating is studied experimentally. The time-dependent Coulomb coupling parameter is presented, showing that the recrystallization starts with an exponential cooling phase where cooling is slower than damping by the neutral gas friction. At later times, the coupling parameter oscillates into equilibrium. It is found that a large fraction of cluster states after recrystallization experiments is in metastable states. The temporal evolution of the correlation buildup shows that correlation occurs on even slower time scale than cooling.

Exact solutions, finite time singularities and non-singular universe models from a variety of Λ(t) cosmologies

NASA Astrophysics Data System (ADS)

Pan, Supriya

2018-01-01

Cosmological models with time-dependent Λ (read as Λ(t)) have been investigated widely in the literature. Models that solve background dynamics analytically are of special interest. Additionally, the allowance of past or future singularities at finite cosmic time in a specific model signals for a generic test on its viabilities with the current observations. Following these, in this work we consider a variety of Λ(t) models focusing on their evolutions and singular behavior. We found that a series of models in this class can be exactly solved when the background universe is described by a spatially flat Friedmann-Lemaître-Robertson-Walker (FLRW) line element. The solutions in terms of the scale factor of the FLRW universe offer different universe models, such as power-law expansion, oscillating, and the singularity free universe. However, we also noticed that a large number of the models in this series permit past or future cosmological singularities at finite cosmic time. At last we close the work with a note that the avoidance of future singularities is possible for certain models under some specific restrictions.

Assessing uncertainty in the turbulent upper-ocean mixed layer using an unstructured finite-element solver

NASA Astrophysics Data System (ADS)

Pacheco, Luz; Smith, Katherine; Hamlington, Peter; Niemeyer, Kyle

2017-11-01

Vertical transport flux in the ocean upper mixed layer has recently been attributed to submesoscale currents, which occur at scales on the order of kilometers in the horizontal direction. These phenomena, which include fronts and mixed-layer instabilities, have been of particular interest due to the effect of turbulent mixing on nutrient transport, facilitating phytoplankton blooms. We study these phenomena using a non-hydrostatic, large eddy simulation for submesoscale currents in the ocean, developed using the extensible, open-source finite element platform FEniCs. Our model solves the standard Boussinesq Euler equations in variational form using the finite element method. FEniCs enables the use of parallel computing on modern systems for efficient computing time, and is suitable for unstructured grids where irregular topography can be considered in the future. The solver will be verified against the well-established NCAR-LES model and validated against observational data. For the verification with NCAR-LES, the velocity, pressure, and buoyancy fields are compared through a surface-wind-driven, open-ocean case. We use this model to study the impacts of uncertainties in the model parameters, such as near-surface buoyancy flux and secondary circulation, and discuss implications.

A Dual Super-Element Domain Decomposition Approach for Parallel Nonlinear Finite Element Analysis

NASA Astrophysics Data System (ADS)

Jokhio, G. A.; Izzuddin, B. A.

2015-05-01

This article presents a new domain decomposition method for nonlinear finite element analysis introducing the concept of dual partition super-elements. The method extends ideas from the displacement frame method and is ideally suited for parallel nonlinear static/dynamic analysis of structural systems. In the new method, domain decomposition is realized by replacing one or more subdomains in a "parent system," each with a placeholder super-element, where the subdomains are processed separately as "child partitions," each wrapped by a dual super-element along the partition boundary. The analysis of the overall system, including the satisfaction of equilibrium and compatibility at all partition boundaries, is realized through direct communication between all pairs of placeholder and dual super-elements. The proposed method has particular advantages for matrix solution methods based on the frontal scheme, and can be readily implemented for existing finite element analysis programs to achieve parallelization on distributed memory systems with minimal intervention, thus overcoming memory bottlenecks typically faced in the analysis of large-scale problems. Several examples are presented in this article which demonstrate the computational benefits of the proposed parallel domain decomposition approach and its applicability to the nonlinear structural analysis of realistic structural systems.

Nonlinear transient analysis by energy minimization: A theoretical basis for the ACTION computer code. [predicting the response of a lightweight aircraft during a crash

NASA Technical Reports Server (NTRS)

Kamat, M. P.

1980-01-01

The formulation basis for establishing the static or dynamic equilibrium configurations of finite element models of structures which may behave in the nonlinear range are provided. With both geometric and time independent material nonlinearities included, the development is restricted to simple one and two dimensional finite elements which are regarded as being the basic elements for modeling full aircraft-like structures under crash conditions. Representations of a rigid link and an impenetrable contact plane are added to the deformation model so that any number of nodes of the finite element model may be connected by a rigid link or may contact the plane. Equilibrium configurations are derived as the stationary conditions of a potential function of the generalized nodal variables of the model. Minimization of the nonlinear potential function is achieved by using the best current variable metric update formula for use in unconstrained minimization. Powell's conjugate gradient algorithm, which offers very low storage requirements at some slight increase in the total number of calculations, is the other alternative algorithm to be used for extremely large scale problems.

Efficient combination of a 3D Quasi-Newton inversion algorithm and a vector dual-primal finite element tearing and interconnecting method

NASA Astrophysics Data System (ADS)

Voznyuk, I.; Litman, A.; Tortel, H.

2015-08-01

A Quasi-Newton method for reconstructing the constitutive parameters of three-dimensional (3D) penetrable scatterers from scattered field measurements is presented. This method is adapted for handling large-scale electromagnetic problems while keeping the memory requirement and the time flexibility as low as possible. The forward scattering problem is solved by applying the finite-element tearing and interconnecting full-dual-primal (FETI-FDP2) method which shares the same spirit as the domain decomposition methods for finite element methods. The idea is to split the computational domain into smaller non-overlapping sub-domains in order to simultaneously solve local sub-problems. Various strategies are proposed in order to efficiently couple the inversion algorithm with the FETI-FDP2 method: a separation into permanent and non-permanent subdomains is performed, iterative solvers are favorized for resolving the interface problem and a marching-on-in-anything initial guess selection further accelerates the process. The computational burden is also reduced by applying the adjoint state vector methodology. Finally, the inversion algorithm is confronted to measurements extracted from the 3D Fresnel database.

Finite-size Scaling of the Density of States in Photonic Band Gap Crystals

NASA Astrophysics Data System (ADS)

Hasan, Shakeeb Bin; Mosk, Allard P.; Vos, Willem L.; Lagendijk, Ad

2018-06-01

The famous vanishing of the density of states (DOS) in a band gap, be it photonic or electronic, pertains to the infinite-crystal limit. In contrast, all experiments and device applications refer to finite crystals, which raises the question: Upon increasing the linear size L of a crystal, how fast does the DOS approach the infinite-crystal limit? We present a theory for finite crystals that includes Bloch-mode broadening due to the presence of crystal boundaries. Our results demonstrate that the DOS for frequencies inside a band gap has a 1 /L scale dependence for crystals in one, two and three dimensions.

3D plasmonic nanoantennas integrated with MEA biosensors

NASA Astrophysics Data System (ADS)

Dipalo, Michele; Messina, Gabriele C.; Amin, Hayder; La Rocca, Rosanna; Shalabaeva, Victoria; Simi, Alessandro; Maccione, Alessandro; Zilio, Pierfrancesco; Berdondini, Luca; de Angelis, Francesco

2015-02-01

Neuronal signaling in brain circuits occurs at multiple scales ranging from molecules and cells to large neuronal assemblies. However, current sensing neurotechnologies are not designed for parallel access of signals at multiple scales. With the aim of combining nanoscale molecular sensing with electrical neural activity recordings within large neuronal assemblies, in this work three-dimensional (3D) plasmonic nanoantennas are integrated with multielectrode arrays (MEA). Nanoantennas are fabricated by fast ion beam milling on optical resist; gold is deposited on the nanoantennas in order to connect them electrically to the MEA microelectrodes and to obtain plasmonic behavior. The optical properties of these 3D nanostructures are studied through finite elements method (FEM) simulations that show a high electromagnetic field enhancement. This plasmonic enhancement is confirmed by surface enhancement Raman spectroscopy of a dye performed in liquid, which presents an enhancement of almost 100 times the incident field amplitude at resonant excitation. Finally, the reported MEA devices are tested on cultured rat hippocampal neurons. Neurons develop by extending branches on the nanostructured electrodes and extracellular action potentials are recorded over multiple days in vitro. Raman spectra of living neurons cultured on the nanoantennas are also acquired. These results highlight that these nanostructures could be potential candidates for combining electrophysiological measures of large networks with simultaneous spectroscopic investigations at the molecular level.Neuronal signaling in brain circuits occurs at multiple scales ranging from molecules and cells to large neuronal assemblies. However, current sensing neurotechnologies are not designed for parallel access of signals at multiple scales. With the aim of combining nanoscale molecular sensing with electrical neural activity recordings within large neuronal assemblies, in this work three-dimensional (3D) plasmonic nanoantennas are integrated with multielectrode arrays (MEA). Nanoantennas are fabricated by fast ion beam milling on optical resist; gold is deposited on the nanoantennas in order to connect them electrically to the MEA microelectrodes and to obtain plasmonic behavior. The optical properties of these 3D nanostructures are studied through finite elements method (FEM) simulations that show a high electromagnetic field enhancement. This plasmonic enhancement is confirmed by surface enhancement Raman spectroscopy of a dye performed in liquid, which presents an enhancement of almost 100 times the incident field amplitude at resonant excitation. Finally, the reported MEA devices are tested on cultured rat hippocampal neurons. Neurons develop by extending branches on the nanostructured electrodes and extracellular action potentials are recorded over multiple days in vitro. Raman spectra of living neurons cultured on the nanoantennas are also acquired. These results highlight that these nanostructures could be potential candidates for combining electrophysiological measures of large networks with simultaneous spectroscopic investigations at the molecular level. Electronic supplementary information (ESI) available. See DOI: 10.1039/c4nr05578k

Gradient-Based Aerodynamic Shape Optimization Using ADI Method for Large-Scale Problems

NASA Technical Reports Server (NTRS)

Pandya, Mohagna J.; Baysal, Oktay

1997-01-01

A gradient-based shape optimization methodology, that is intended for practical three-dimensional aerodynamic applications, has been developed. It is based on the quasi-analytical sensitivities. The flow analysis is rendered by a fully implicit, finite volume formulation of the Euler equations.The aerodynamic sensitivity equation is solved using the alternating-direction-implicit (ADI) algorithm for memory efficiency. A flexible wing geometry model, that is based on surface parameterization and platform schedules, is utilized. The present methodology and its components have been tested via several comparisons. Initially, the flow analysis for for a wing is compared with those obtained using an unfactored, preconditioned conjugate gradient approach (PCG), and an extensively validated CFD code. Then, the sensitivities computed with the present method have been compared with those obtained using the finite-difference and the PCG approaches. Effects of grid refinement and convergence tolerance on the analysis and shape optimization have been explored. Finally the new procedure has been demonstrated in the design of a cranked arrow wing at Mach 2.4. Despite the expected increase in the computational time, the results indicate that shape optimization, which require large numbers of grid points can be resolved with a gradient-based approach.

Optimal design of structures with multiple design variables per group and multiple loading conditions on the personal computer

NASA Technical Reports Server (NTRS)

Nguyen, D. T.; Rogers, J. L., Jr.

1986-01-01

A finite element based programming system for minimum weight design of a truss-type structure subjected to displacement, stress, and lower and upper bounds on design variables is presented. The programming system consists of a number of independent processors, each performing a specific task. These processors, however, are interfaced through a well-organized data base, thus making the tasks of modifying, updating, or expanding the programming system much easier in a friendly environment provided by many inexpensive personal computers. The proposed software can be viewed as an important step in achieving a 'dummy' finite element for optimization. The programming system has been implemented on both large and small computers (such as VAX, CYBER, IBM-PC, and APPLE) although the focus is on the latter. Examples are presented to demonstrate the capabilities of the code. The present programming system can be used stand-alone or as part of the multilevel decomposition procedure to obtain optimum design for very large scale structural systems. Furthermore, other related research areas such as developing optimization algorithms (or in the larger level: a structural synthesis program) for future trends in using parallel computers may also benefit from this study.

Floquet Engineering in Quantum Chains

NASA Astrophysics Data System (ADS)

Kennes, D. M.; de la Torre, A.; Ron, A.; Hsieh, D.; Millis, A. J.

2018-03-01

We consider a one-dimensional interacting spinless fermion model, which displays the well-known Luttinger liquid (LL) to charge density wave (CDW) transition as a function of the ratio between the strength of the interaction U and the hopping J . We subject this system to a spatially uniform drive which is ramped up over a finite time interval and becomes time periodic in the long-time limit. We show that by using a density matrix renormalization group approach formulated for infinite system sizes, we can access the large-time limit even when the drive induces finite heating. When both the initial and long-time states are in the gapless (LL) phase, the final state has power-law correlations for all ramp speeds. However, when the initial and final state are gapped (CDW phase), we find a pseudothermal state with an effective temperature that depends on the ramp rate, both for the Magnus regime in which the drive frequency is very large compared to other scales in the system and in the opposite limit where the drive frequency is less than the gap. Remarkably, quantum defects (instantons) appear when the drive tunes the system through the quantum critical point, in a realization of the Kibble-Zurek mechanism.

On the nonlinear three dimensional instability of Stokes layers and other shear layers to pairs of oblique waves

NASA Technical Reports Server (NTRS)

Wu, Xuesong; Lee, Sang Soo; Cowley, Stephen J.

1992-01-01

The nonlinear evolution of a pair of initially oblique waves in a high Reynolds Number Stokes layer is studied. Attention is focused on times when disturbances of amplitude epsilon have O(epsilon(exp 1/3)R) growth rates, where R is the Reynolds number. The development of a pair of oblique waves is then controlled by nonlinear critical-layer effects. Viscous effects are included by studying the distinguished scaling epsilon = O(R(exp -1)). This leads to a complicated modification of the kernel function in the integro-differential amplitude equation. When viscosity is not too large, solutions to the amplitude equation develop a finite-time singularity, indicating that an explosive growth can be introduced by nonlinear effects; we suggest that such explosive growth can lead to the bursts observed in experiments. Increasing the importance of viscosity generally delays the occurrence of the finite-time singularity, and sufficiently large viscosity may lead to the disturbance decaying exponentially. For the special case when the streamwise and spanwise wavenumbers are equal, the solution can evolve into a periodic oscillation. A link between the unsteady critical-layer approach to high-Reynolds-number flow instability, and the wave vortex approach is identified.

Particle Orbit Analysis in the Finite Beta Plasma of the Large Helical Device using Real Coordinates

NASA Astrophysics Data System (ADS)

Seki, Ryousuke; Matsumoto, Yutaka; Suzuki, Yasuhiro; Watanabe, Kiyomasa; Itagaki, Masafumi

High-energy particles in a finite beta plasma of the Large Helical Device (LHD) are numerically traced in a real coordinate system. We investigate particle orbits by changing the beta value and/or the magnetic field strength. No significant difference is found in the particle orbit classifications between the vacuum magnetic field and the finite beta plasma cases. The deviation of a banana orbit from the flux surfaces strongly depends on the beta value, although the deviation of the orbit of a passing particle is independent of the beta value. In addition, the deviation of the orbit of the passing particle, rather than that of the banana-orbit particles, depends on the magnetic field strength. We also examine the effect of re-entering particles, which repeatedly pass in and out of the last closed flux surface, in the finite beta plasma of the LHD. It is found that the number of re-entering particles in the finite beta plasma is larger than that in the vacuum magnetic field. As a result, the role of reentering particles in the finite beta plasma of the LHD is more important than that in the vacuum magnetic field, and the effect of the charge-exchange reaction on particle confinement in the finite beta plasma is large.

Temperature Scaling Law for Quantum Annealing Optimizers.

PubMed

Albash, Tameem; Martin-Mayor, Victor; Hen, Itay

2017-09-15

Physical implementations of quantum annealing unavoidably operate at finite temperatures. We point to a fundamental limitation of fixed finite temperature quantum annealers that prevents them from functioning as competitive scalable optimizers and show that to serve as optimizers annealer temperatures must be appropriately scaled down with problem size. We derive a temperature scaling law dictating that temperature must drop at the very least in a logarithmic manner but also possibly as a power law with problem size. We corroborate our results by experiment and simulations and discuss the implications of these to practical annealers.

Fast chemical reaction in two-dimensional Navier-Stokes flow: initial regime.

PubMed

Ait-Chaalal, Farid; Bourqui, Michel S; Bartello, Peter

2012-04-01

This paper studies an infinitely fast bimolecular chemical reaction in a two-dimensional biperiodic Navier-Stokes flow. The reactants in stoichiometric quantities are initially segregated by infinite gradients. The focus is placed on the initial stage of the reaction characterized by a well-defined one-dimensional material contact line between the reactants. Particular attention is given to the effect of the diffusion κ of the reactants. This study is an idealized framework for isentropic mixing in the lower stratosphere and is motivated by the need to better understand the effect of resolution on stratospheric chemistry in climate-chemistry models. Adopting a Lagrangian straining theory approach, we relate theoretically the ensemble mean of the length of the contact line, of the gradients along it, and of the modulus of the time derivative of the space-average reactant concentrations (here called the chemical speed) to the joint probability density function of the finite-time Lyapunov exponent λ with two times τ and τ[over ̃]. The time 1/λ measures the stretching time scale of a Lagrangian parcel on a chaotic orbit up to a finite time t, while τ measures it in the recent past before t, and τ[over ̃] in the early part of the trajectory. We show that the chemical speed scales like κ(1/2) and that its time evolution is determined by rare large events in the finite-time Lyapunov exponent distribution. The case of smooth initial gradients is also discussed. The theoretical results are tested with an ensemble of direct numerical simulations (DNSs) using a pseudospectral model.

Finite-strain large-deflection elastic-viscoplastic finite-element transient response analysis of structures

NASA Technical Reports Server (NTRS)

Rodal, J. J. A.; Witmer, E. A.

1979-01-01

A method of analysis for thin structures that incorporates finite strain, elastic-plastic, strain hardening, time dependent material behavior implemented with respect to a fixed configuration and is consistently valid for finite strains and finite rotations is developed. The theory is formulated systematically in a body fixed system of convected coordinates with materially embedded vectors that deform in common with continuum. Tensors are considered as linear vector functions and use is made of the dyadic representation. The kinematics of a deformable continuum is treated in detail, carefully defining precisely all quantities necessary for the analysis. The finite strain theory developed gives much better predictions and agreement with experiment than does the traditional small strain theory, and at practically no additional cost. This represents a very significant advance in the capability for the reliable prediction of nonlinear transient structural responses, including the reliable prediction of strains large enough to produce ductile metal rupture.

Overcoming time scale and finite size limitations to compute nucleation rates from small scale well tempered metadynamics simulations.

PubMed

Salvalaglio, Matteo; Tiwary, Pratyush; Maggioni, Giovanni Maria; Mazzotti, Marco; Parrinello, Michele

2016-12-07

Condensation of a liquid droplet from a supersaturated vapour phase is initiated by a prototypical nucleation event. As such it is challenging to compute its rate from atomistic molecular dynamics simulations. In fact at realistic supersaturation conditions condensation occurs on time scales that far exceed what can be reached with conventional molecular dynamics methods. Another known problem in this context is the distortion of the free energy profile associated to nucleation due to the small, finite size of typical simulation boxes. In this work the problem of time scale is addressed with a recently developed enhanced sampling method while contextually correcting for finite size effects. We demonstrate our approach by studying the condensation of argon, and showing that characteristic nucleation times of the order of magnitude of hours can be reliably calculated. Nucleation rates spanning a range of 10 orders of magnitude are computed at moderate supersaturation levels, thus bridging the gap between what standard molecular dynamics simulations can do and real physical systems.

Overcoming time scale and finite size limitations to compute nucleation rates from small scale well tempered metadynamics simulations

NASA Astrophysics Data System (ADS)

Salvalaglio, Matteo; Tiwary, Pratyush; Maggioni, Giovanni Maria; Mazzotti, Marco; Parrinello, Michele

2016-12-01

Condensation of a liquid droplet from a supersaturated vapour phase is initiated by a prototypical nucleation event. As such it is challenging to compute its rate from atomistic molecular dynamics simulations. In fact at realistic supersaturation conditions condensation occurs on time scales that far exceed what can be reached with conventional molecular dynamics methods. Another known problem in this context is the distortion of the free energy profile associated to nucleation due to the small, finite size of typical simulation boxes. In this work the problem of time scale is addressed with a recently developed enhanced sampling method while contextually correcting for finite size effects. We demonstrate our approach by studying the condensation of argon, and showing that characteristic nucleation times of the order of magnitude of hours can be reliably calculated. Nucleation rates spanning a range of 10 orders of magnitude are computed at moderate supersaturation levels, thus bridging the gap between what standard molecular dynamics simulations can do and real physical systems.

LS-DYNA Analysis of a Full-Scale Helicopter Crash Test

NASA Technical Reports Server (NTRS)

Annett, Martin S.

2010-01-01

A full-scale crash test of an MD-500 helicopter was conducted in December 2009 at NASA Langley's Landing and Impact Research facility (LandIR). The MD-500 helicopter was fitted with a composite honeycomb Deployable Energy Absorber (DEA) and tested under vertical and horizontal impact velocities of 26 ft/sec and 40 ft/sec, respectively. The objectives of the test were to evaluate the performance of the DEA concept under realistic crash conditions and to generate test data for validation of a system integrated LS-DYNA finite element model. In preparation for the full-scale crash test, a series of sub-scale and MD-500 mass simulator tests was conducted to evaluate the impact performances of various components, including a new crush tube and the DEA blocks. Parameters defined within the system integrated finite element model were determined from these tests. The objective of this paper is to summarize the finite element models developed and analyses performed, beginning with pre-test and continuing through post test validation.

Finite-size scaling analysis in the two-photon Dicke model

NASA Astrophysics Data System (ADS)

Chen, Xiang-You; Zhang, Yu-Yu

2018-05-01

We perform a Schrieffer-Wolff transformation to the two-photon Dicke model by keeping the leading-order correction with a quartic term of the field, which is crucial for finite-size scaling analysis. Besides a spectral collapse as a consequence of two-photon interaction, the super-radiant phase transition is indicated by the vanishing of the excitation energy and the uniform atomic polarization. The scaling functions for the ground-state energy and the atomic pseudospin are derived analytically. The scaling exponents of the observables are the same as those in the standard Dicke model, indicating they are in the same universality class.

A Multilevel, Hierarchical Sampling Technique for Spatially Correlated Random Fields

DOE PAGES

Osborn, Sarah; Vassilevski, Panayot S.; Villa, Umberto

2017-10-26

In this paper, we propose an alternative method to generate samples of a spatially correlated random field with applications to large-scale problems for forward propagation of uncertainty. A classical approach for generating these samples is the Karhunen--Loève (KL) decomposition. However, the KL expansion requires solving a dense eigenvalue problem and is therefore computationally infeasible for large-scale problems. Sampling methods based on stochastic partial differential equations provide a highly scalable way to sample Gaussian fields, but the resulting parametrization is mesh dependent. We propose a multilevel decomposition of the stochastic field to allow for scalable, hierarchical sampling based on solving amore » mixed finite element formulation of a stochastic reaction-diffusion equation with a random, white noise source function. Lastly, numerical experiments are presented to demonstrate the scalability of the sampling method as well as numerical results of multilevel Monte Carlo simulations for a subsurface porous media flow application using the proposed sampling method.« less

A Multilevel, Hierarchical Sampling Technique for Spatially Correlated Random Fields

DOE Office of Scientific and Technical Information (OSTI.GOV)

Osborn, Sarah; Vassilevski, Panayot S.; Villa, Umberto

In this paper, we propose an alternative method to generate samples of a spatially correlated random field with applications to large-scale problems for forward propagation of uncertainty. A classical approach for generating these samples is the Karhunen--Loève (KL) decomposition. However, the KL expansion requires solving a dense eigenvalue problem and is therefore computationally infeasible for large-scale problems. Sampling methods based on stochastic partial differential equations provide a highly scalable way to sample Gaussian fields, but the resulting parametrization is mesh dependent. We propose a multilevel decomposition of the stochastic field to allow for scalable, hierarchical sampling based on solving amore » mixed finite element formulation of a stochastic reaction-diffusion equation with a random, white noise source function. Lastly, numerical experiments are presented to demonstrate the scalability of the sampling method as well as numerical results of multilevel Monte Carlo simulations for a subsurface porous media flow application using the proposed sampling method.« less

Cluster Tails for Critical Power-Law Inhomogeneous Random Graphs

NASA Astrophysics Data System (ADS)

van der Hofstad, Remco; Kliem, Sandra; van Leeuwaarden, Johan S. H.

2018-04-01

Recently, the scaling limit of cluster sizes for critical inhomogeneous random graphs of rank-1 type having finite variance but infinite third moment degrees was obtained in Bhamidi et al. (Ann Probab 40:2299-2361, 2012). It was proved that when the degrees obey a power law with exponent τ \\in (3,4), the sequence of clusters ordered in decreasing size and multiplied through by n^{-(τ -2)/(τ -1)} converges as n→ ∞ to a sequence of decreasing non-degenerate random variables. Here, we study the tails of the limit of the rescaled largest cluster, i.e., the probability that the scaling limit of the largest cluster takes a large value u, as a function of u. This extends a related result of Pittel (J Combin Theory Ser B 82(2):237-269, 2001) for the Erdős-Rényi random graph to the setting of rank-1 inhomogeneous random graphs with infinite third moment degrees. We make use of delicate large deviations and weak convergence arguments.

Accelerating three-dimensional FDTD calculations on GPU clusters for electromagnetic field simulation.

PubMed

Nagaoka, Tomoaki; Watanabe, Soichi

2012-01-01

Electromagnetic simulation with anatomically realistic computational human model using the finite-difference time domain (FDTD) method has recently been performed in a number of fields in biomedical engineering. To improve the method's calculation speed and realize large-scale computing with the computational human model, we adapt three-dimensional FDTD code to a multi-GPU cluster environment with Compute Unified Device Architecture and Message Passing Interface. Our multi-GPU cluster system consists of three nodes. The seven GPU boards (NVIDIA Tesla C2070) are mounted on each node. We examined the performance of the FDTD calculation on multi-GPU cluster environment. We confirmed that the FDTD calculation on the multi-GPU clusters is faster than that on a multi-GPU (a single workstation), and we also found that the GPU cluster system calculate faster than a vector supercomputer. In addition, our GPU cluster system allowed us to perform the large-scale FDTD calculation because were able to use GPU memory of over 100 GB.

Quantifying and Qualifying USGS ShakeMap Uncertainty

USGS Publications Warehouse

Wald, David J.; Lin, Kuo-Wan; Quitoriano, Vincent

2008-01-01

We describe algorithms for quantifying and qualifying uncertainties associated with USGS ShakeMap ground motions. The uncertainty values computed consist of latitude/longitude grid-based multiplicative factors that scale the standard deviation associated with the ground motion prediction equation (GMPE) used within the ShakeMap algorithm for estimating ground motions. The resulting grid-based 'uncertainty map' is essential for evaluation of losses derived using ShakeMaps as the hazard input. For ShakeMap, ground motion uncertainty at any point is dominated by two main factors: (i) the influence of any proximal ground motion observations, and (ii) the uncertainty of estimating ground motions from the GMPE, most notably, elevated uncertainty due to initial, unconstrained source rupture geometry. The uncertainty is highest for larger magnitude earthquakes when source finiteness is not yet constrained and, hence, the distance to rupture is also uncertain. In addition to a spatially-dependant, quantitative assessment, many users may prefer a simple, qualitative grading for the entire ShakeMap. We developed a grading scale that allows one to quickly gauge the appropriate level of confidence when using rapidly produced ShakeMaps as part of the post-earthquake decision-making process or for qualitative assessments of archived or historical earthquake ShakeMaps. We describe an uncertainty letter grading ('A' through 'F', for high to poor quality, respectively) based on the uncertainty map. A middle-range ('C') grade corresponds to a ShakeMap for a moderate-magnitude earthquake suitably represented with a point-source location. Lower grades 'D' and 'F' are assigned for larger events (M>6) where finite-source dimensions are not yet constrained. The addition of ground motion observations (or observed macroseismic intensities) reduces uncertainties over data-constrained portions of the map. Higher grades ('A' and 'B') correspond to ShakeMaps with constrained fault dimensions and numerous stations, depending on the density of station/data coverage. Due to these dependencies, the letter grade can change with subsequent ShakeMap revisions if more data are added or when finite-faulting dimensions are added. We emphasize that the greatest uncertainties are associated with unconstrained source dimensions for large earthquakes where the distance term in the GMPE is most uncertain; this uncertainty thus scales with magnitude (and consequently rupture dimension). Since this distance uncertainty produces potentially large uncertainties in ShakeMap ground-motion estimates, this factor dominates over compensating constraints for all but the most dense station distributions.

Asymmetric fluid criticality. II. Finite-size scaling for simulations.

PubMed

Kim, Young C; Fisher, Michael E

2003-10-01

The vapor-liquid critical behavior of intrinsically asymmetric fluids is studied in finite systems of linear dimensions L focusing on periodic boundary conditions, as appropriate for simulations. The recently propounded "complete" thermodynamic (L--> infinity) scaling theory incorporating pressure mixing in the scaling fields as well as corrections to scaling [Phys. Rev. E 67, 061506 (2003)] is extended to finite L, initially in a grand canonical representation. The theory allows for a Yang-Yang anomaly in which, when L--> infinity, the second temperature derivative (d2musigma/dT2) of the chemical potential along the phase boundary musigmaT diverges when T-->Tc-. The finite-size behavior of various special critical loci in the temperature-density or (T,rho) plane, in particular, the k-inflection susceptibility loci and the Q-maximal loci--derived from QL(T,L) is identical with 2L/L where m is identical with rho-L--is carefully elucidated and shown to be of value in estimating Tc and rhoc. Concrete illustrations are presented for the hard-core square-well fluid and for the restricted primitive model electrolyte including an estimate of the correlation exponent nu that confirms Ising-type character. The treatment is extended to the canonical representation where further complications appear.

Grain-scale investigations of deformation heterogeneities in aluminum alloys

NASA Astrophysics Data System (ADS)

Güler, Baran; Şimşek, Ülke; Yalçınkaya, Tuncay; Efe, Mert

2018-05-01

The anisotropic deformation of Aluminum alloys at micron scale exhibits localized deformation, which has negative implications on the macroscale mechanical and forming behavior. The scope of this work is twofold. Firstly, micro-scale deformation heterogeneities affecting forming behavior of aluminum alloys is investigated through experimental microstructure analysis at large strains and various strain paths. The effects of initial texture, local grain misorientation, and strain paths on the strain localizations are established. In addition to uniaxial tension condition, deformation heterogeneities are also investigated under equibiaxial tension condition to determine the strain path effects on the localization behavior. Secondly, the morphology and the crystallographic data obtained from the experiments is transferred to Abaqus software, in order to predict both macroscopic response and the microstructure evolution though crystal plasticity finite element simulations. The model parameters are identified through the comparison with experiments and the capability of the model to capture real material response is discussed as well.

Random cascade model in the limit of infinite integral scale as the exponential of a nonstationary 1/f noise: Application to volatility fluctuations in stock markets

NASA Astrophysics Data System (ADS)

Muzy, Jean-François; Baïle, Rachel; Bacry, Emmanuel

2013-04-01

In this paper we propose a new model for volatility fluctuations in financial time series. This model relies on a nonstationary Gaussian process that exhibits aging behavior. It turns out that its properties, over any finite time interval, are very close to continuous cascade models. These latter models are indeed well known to reproduce faithfully the main stylized facts of financial time series. However, it involves a large-scale parameter (the so-called “integral scale” where the cascade is initiated) that is hard to interpret in finance. Moreover, the empirical value of the integral scale is in general deeply correlated to the overall length of the sample. This feature is precisely predicted by our model, which, as illustrated by various examples from daily stock index data, quantitatively reproduces the empirical observations.

Spontaneous breaking of scale invariance in a D = 3 U(N ) model with Chern-Simons gauge fields

DOE PAGES

Bardeen, William A.; Moshe, Moshe

2014-06-18

We study spontaneous breaking of scale invariance in the large N limit of three dimensional U(N ) κ Chern-Simons theories coupled to a scalar field in the fundamental representation. When a λ 6 ( Ø † · Ø) 3 self interaction term is added to the action we find a massive phase at a certain critical value for a combination of the λ(6) and ’t Hooft’s λ = N/κ couplings. This model attracted recent attention since at finite κ it contains a singlet sector which is conjectured to be dual to Vasiliev’s higher spin gravity on AdS 4. Our papermore » concentrates on the massive phase of the 3d boundary theory. We discuss the advantage of introducing masses in the boundary theory through spontaneous breaking of scale invariance.« less

Dynamics of passive and active particles in the cell nucleus.

PubMed

Hameed, Feroz M; Rao, Madan; Shivashankar, G V

2012-01-01

Inspite of being embedded in a dense meshwork of nuclear chromatin, gene loci and large nuclear components are highly dynamic at 37°C. To understand this apparent unfettered movement in an overdense environment, we study the dynamics of a passive micron size bead in live cell nuclei at two different temperatures (25 and 37°C) with and without external force. In the absence of a force, the beads are caged over large time scales. On application of a threshold uniaxial force (about 10(2) pN), the passive beads appear to hop between cages; this large scale movement is absent upon ATP-depletion, inhibition of chromatin remodeling enzymes and RNAi of lamin B1 proteins. Our results suggest that the nucleus behaves like an active solid with a finite yield stress when probed at a micron scale. Spatial analysis of histone fluorescence anisotropy (a measure of local chromatin compaction, defined as the volume fraction of tightly bound chromatin) shows that the bead movement correlates with regions of low chromatin compaction. This suggests that the physical mechanism of the observed yielding is the active opening of free-volume in the nuclear solid via chromatin remodeling. Enriched transcription sites at 25°C also show caging in the absence of the applied force and directed movement beyond a yield stress, in striking contrast with the large scale movement of transcription loci at 37°C in the absence of a force. This suggests that at physiological temperatures, the loci behave as active particles which remodel the nuclear mesh and reduce the local yield stress.

The effects of core-reflected waves on finite fault inversions with teleseismic body wave data

NASA Astrophysics Data System (ADS)

Qian, Yunyi; Ni, Sidao; Wei, Shengji; Almeida, Rafael; Zhang, Han

2017-11-01

Teleseismic body waves are essential for imaging rupture processes of large earthquakes. Earthquake source parameters are usually characterized by waveform analyses such as finite fault inversions using only turning (direct) P and SH waves without considering the reflected phases from the core-mantle boundary (CMB). However, core-reflected waves such as ScS usually have amplitudes comparable to direct S waves due to the total reflection from the CMB and might interfere with the S waves used for inversion, especially at large epicentral distances for long duration earthquakes. In order to understand how core-reflected waves affect teleseismic body wave inversion results, we develop a procedure named Multitel3 to compute Green's functions that contain turning waves (direct P, pP, sP, direct S, sS and reverberations in the crust) and core-reflected waves (PcP, pPcP, sPcP, ScS, sScS and associated reflected phases from the CMB). This ray-based method can efficiently generate synthetic seismograms for turning and core-reflected waves independently, with the flexibility to take into account the 3-D Earth structure effect on the timing between these phases. The performance of this approach is assessed through a series of numerical inversion tests on synthetic waveforms of the 2008 Mw7.9 Wenchuan earthquake and the 2015 Mw7.8 Nepal earthquake. We also compare this improved method with the turning-wave only inversions and explore the stability of the new procedure when there are uncertainties in a priori information (such as fault geometry and epicentre location) or arrival time of core-reflected phases. Finally, a finite fault inversion of the 2005 Mw8.7 Nias-Simeulue earthquake is carried out using the improved Green's functions. Using enhanced Green's functions yields better inversion results as expected. While the finite source inversion with conventional P and SH waves is able to recover large-scale characteristics of the earthquake source, by adding PcP and ScS phases, the inverted slip model and moment rate function better match previous results incorporating field observations, geodetic and seismic data.

Delocalized SYZ mirrors and confronting top-down SU(3)-structure holographic meson masses at finite g and N_c with P(article) D(ata) G(roup) values

NASA Astrophysics Data System (ADS)

Yadav, Vikas; Misra, Aalok; Sil, Karunava

2017-10-01

Meson spectroscopy at finite gauge coupling - whereat any perturbative QCD computation would break down - and finite number of colors, from a top-down holographic string model, has thus far been entirely missing in the literature. This paper fills this gap. Using the delocalized type IIA SYZ mirror (with SU(3) structure) of the holographic type IIB dual of large- N thermal QCD of Mia et al. (Nucl Phys B 839:187. arXiv:0902.1540 [hep-th], 2010) as constructed in Dhuria and Misra (JHEP 1311:001. arXiv:1306.4339 [hep-th], 2013) at finite coupling and number of colors (N_c = number of D5(\\overline{D5})-branes wrapping a vanishing two-cycle in the top-down holographic construct of Mia et al. (Nucl Phys B 839:187. arXiv:0902.1540 [hep-th], 2010) = O(1) in the IR in the MQGP limit of Dhuria and Misra (JHEP 1311:001. arXiv:1306.4339 [hep-th], 2013) at the end of a Seiberg-duality cascade), we obtain analytical (not just numerical) expressions for the vector and scalar meson spectra and compare our results with previous calculations of Sakai and Sugimoto (Prog Theor Phys 113:843. doi: 10.1143/PTP.113.843 arXiv:hep-th/0412141, 2005) and Dasgupta et al. (JHEP 1507:122. doi: 10.1007/JHEP07(2015)122 arXiv:1409.0559 [hep-th], 2015), and we obtain a closer match with the Particle Data Group (PDG) results of Olive et al. (Particle Data Group) (Chin Phys C 38:090001, 2014). Through explicit computations, we verify that the vector and scalar meson spectra obtained by the gravity dual with a black hole for all temperatures (small and large) are nearly isospectral with the spectra obtained by a thermal gravity dual valid for only low temperatures; the isospectrality is much closer for vector mesons than scalar mesons. The black-hole gravity dual (with a horizon radius smaller than the deconfinement scale) also provides the expected large- N suppressed decrease in vector meson mass with increase of temperature.

Epidemic extinction paths in complex networks

NASA Astrophysics Data System (ADS)

Hindes, Jason; Schwartz, Ira B.

2017-05-01

We study the extinction of long-lived epidemics on finite complex networks induced by intrinsic noise. Applying analytical techniques to the stochastic susceptible-infected-susceptible model, we predict the distribution of large fluctuations, the most probable or optimal path through a network that leads to a disease-free state from an endemic state, and the average extinction time in general configurations. Our predictions agree with Monte Carlo simulations on several networks, including synthetic weighted and degree-distributed networks with degree correlations, and an empirical high school contact network. In addition, our approach quantifies characteristic scaling patterns for the optimal path and distribution of large fluctuations, both near and away from the epidemic threshold, in networks with heterogeneous eigenvector centrality and degree distributions.

Epidemic extinction paths in complex networks.

PubMed

Hindes, Jason; Schwartz, Ira B

2017-05-01

We study the extinction of long-lived epidemics on finite complex networks induced by intrinsic noise. Applying analytical techniques to the stochastic susceptible-infected-susceptible model, we predict the distribution of large fluctuations, the most probable or optimal path through a network that leads to a disease-free state from an endemic state, and the average extinction time in general configurations. Our predictions agree with Monte Carlo simulations on several networks, including synthetic weighted and degree-distributed networks with degree correlations, and an empirical high school contact network. In addition, our approach quantifies characteristic scaling patterns for the optimal path and distribution of large fluctuations, both near and away from the epidemic threshold, in networks with heterogeneous eigenvector centrality and degree distributions.

GPU accelerated FDTD solver and its application in MRI.

PubMed

Chi, J; Liu, F; Jin, J; Mason, D G; Crozier, S

2010-01-01

The finite difference time domain (FDTD) method is a popular technique for computational electromagnetics (CEM). The large computational power often required, however, has been a limiting factor for its applications. In this paper, we will present a graphics processing unit (GPU)-based parallel FDTD solver and its successful application to the investigation of a novel B1 shimming scheme for high-field magnetic resonance imaging (MRI). The optimized shimming scheme exhibits considerably improved transmit B(1) profiles. The GPU implementation dramatically shortened the runtime of FDTD simulation of electromagnetic field compared with its CPU counterpart. The acceleration in runtime has made such investigation possible, and will pave the way for other studies of large-scale computational electromagnetic problems in modern MRI which were previously impractical.

Mechanical Strength and Stability of DNA-modified Gold Nanoparticle Systems

NASA Astrophysics Data System (ADS)

Lam, Letisha McLaughlin

Systems in which gold nanoparticles (AuNPs) are functionalized with DNA have the potential for a broad range of applications in gene regulation therapies, drug delivery, sensing, innovative biomaterials and material templates. The use of DNA-modified gold nanoparticle (AuNP-DNA) systems is driven by their ease of assembly with bottom-up methods as well as the tunability of the systems' mechanical, optical, and electronic properties by exploiting AuNP characteristics and behavior in a multi-particle arrangement. Periodic arrangements of AuNPs precisely distributed through ligated DNA linkers may be assembled and used on relatively large length scales, on the order of hundreds of nanometers, for use in potential nanoscale technologies and applications. However, because of the size and heterogeneous composition of AuNP-DNA systems, their stability under mechanical loading is not well understood or quantified on relevant physical scales for these applications. Hence, a large-scale specialized finite-element predictive approach with a dislocation-density based crystalline plasticity has been used to investigate the mechanical stability of AuNP-DNA-ligand systems with AuNPs within the physical dimensions required for plasmon resonance. The crystalline formulation for the AuNPs accounts for multiple crystalline slip, dislocation-density evolution, lattice rotations, and large inelastic strains. A hypoelastic formulation was used for the DNA and the ligands. The nonlinear finite-element scheme is based on accounting for finite elastic and inelastic strains. These approaches were employed to predict and understand the fundamental scale-dependent microstructural behavior, the evolving heterogeneous microstructure, and localized phenomena that can contribute to failure initiation and instability. Each system was loaded using quasi-static plane strain tension and compression to simulate application loading conditions, and the elastic and inelastic evolutions were analyzed for evidence of mechanical strengthening as well as possible failure modes. To establish a foundation for AuNP-DNA stability analysis, several different two-particle conformations were investigated, including systems with pentagonally twinned AuNPs, systems with circular AuNPs, systems with non-textured and textured cuboctahedron AuNPs with 6 nm DNA, 12 nm DNA, and 18 nm DNA. In general, the analyses indicated that the systems' stability are mainly affected by large stress gradients at AuNP-ligand interfaces, as well as large dislocation-density, normal stresses, and inelastic accumulations in the region adjacent to these interfaces between the AuNPs and the DNA. The predictions also indicate that highly faceted f.c.c. AuNPs with DNA lengths of approximately 6 nm in biaxial loading conditions were found to have the highest strength and overall stability. Furthermore, periodic AuNP-DNA superlattice composites, which mimic the crystallography of f.c.c. atomic lattices, were investigated for mechanical effectiveness as both a composite material and thin film. This investigation analyzed the stress behavior and inelastic evolution of f.c.c. AuNP-DNA superlattice systems with different Au volume fractions, matrix strengths, intrinsic nanoparticle crystallographic orientations and sizes. These analyses were also extended to superlattice f.c.c. composites on a silicon substrate. The results indicate that f.c.c. AuNP-DNA superlattices have a combination of high strength and toughness due to the ductile nature of the nanoparticles in conjunction with the physical properties of the DNA and matrix materials. The superlattice films also exhibited high strengths and toughness, with the limiting factor being the interrelated aspects of film thickness and delamination. These predictions can be used as guidelines for using these composites, superlattices, and thin films as candidates for innovative building blocks for new material systems.

Large Subduction Earthquake Simulations using Finite Source Modeling and the Offshore-Onshore Ambient Seismic Field

NASA Astrophysics Data System (ADS)

Viens, L.; Miyake, H.; Koketsu, K.

2016-12-01

Large subduction earthquakes have the potential to generate strong long-period ground motions. The ambient seismic field, also called seismic noise, contains information about the elastic response of the Earth between two seismic stations that can be retrieved using seismic interferometry. The DONET1 network, which is composed of 20 offshore stations, has been deployed atop the Nankai subduction zone, Japan, to continuously monitor the seismotectonic activity in this highly seismically active region. The surrounding onshore area is covered by hundreds of seismic stations, which are operated the National Research Institute for Earth Science and Disaster Prevention (NIED) and the Japan Meteorological Agency (JMA), with a spacing of 15-20 km. We retrieve offshore-onshore Green's functions from the ambient seismic field using the deconvolution technique and use them to simulate the long-period ground motions of moderate subduction earthquakes that occurred at shallow depth. We extend the point source method, which is appropriate for moderate events, to finite source modeling to simulate the long-period ground motions of large Mw 7 class earthquake scenarios. The source models are constructed using scaling relations between moderate and large earthquakes to discretize the fault plane of the large hypothetical events into subfaults. Offshore-onshore Green's functions are spatially interpolated over the fault plane to obtain one Green's function for each subfault. The interpolated Green's functions are finally summed up considering different rupture velocities. Results show that this technique can provide additional information about earthquake ground motions that can be used with the existing physics-based simulations to improve seismic hazard assessment.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Roehm, Dominic; Pavel, Robert S.; Barros, Kipton

We present an adaptive sampling method supplemented by a distributed database and a prediction method for multiscale simulations using the Heterogeneous Multiscale Method. A finite-volume scheme integrates the macro-scale conservation laws for elastodynamics, which are closed by momentum and energy fluxes evaluated at the micro-scale. In the original approach, molecular dynamics (MD) simulations are launched for every macro-scale volume element. Our adaptive sampling scheme replaces a large fraction of costly micro-scale MD simulations with fast table lookup and prediction. The cloud database Redis provides the plain table lookup, and with locality aware hashing we gather input data for our predictionmore » scheme. For the latter we use kriging, which estimates an unknown value and its uncertainty (error) at a specific location in parameter space by using weighted averages of the neighboring points. We find that our adaptive scheme significantly improves simulation performance by a factor of 2.5 to 25, while retaining high accuracy for various choices of the algorithm parameters.« less

Influence of container shape on scaling of turbulent fluctuations in convection

NASA Astrophysics Data System (ADS)

Foroozani, N.; Niemela, J. J.; Armenio, V.; Sreenivasan, K. R.

2014-12-01

We perform large-eddy simulations of turbulent convection in a cubic cell for Rayleigh numbers, Ra, between 106 and 1010 and the molecular Prandtl number, Pr=0.7 . The simulations were carried out using a second-order-accurate finite-difference method in which subgrid-scale fluxes of momentum and heat were both parametrized using a Lagrangian and dynamic Smagorinsky model. The scaling of the root-mean-square fluctuations of density (temperature) and velocity measured in the cell center are in excellent agreement with the scaling measured in the laboratory experiments of Daya and Ecke [Phys. Rev. Lett. 87, 184501 (2001), 10.1103/PhysRevLett.87.184501] and differ substantially from that observed in cylindrical cells. We also observe the time-averaged spatial distributions of the local heat flux and density fluctuations, and find that they are strongly inhomogeneous in the horizontal midplane, with the largest density gradients occurring at the corners at the midheight, where hot and cold plumes mix in the form of strong counter-rotating eddies.

Distributed database kriging for adaptive sampling (D²KAS)

DOE PAGES

Roehm, Dominic; Pavel, Robert S.; Barros, Kipton; ...

2015-03-18

We present an adaptive sampling method supplemented by a distributed database and a prediction method for multiscale simulations using the Heterogeneous Multiscale Method. A finite-volume scheme integrates the macro-scale conservation laws for elastodynamics, which are closed by momentum and energy fluxes evaluated at the micro-scale. In the original approach, molecular dynamics (MD) simulations are launched for every macro-scale volume element. Our adaptive sampling scheme replaces a large fraction of costly micro-scale MD simulations with fast table lookup and prediction. The cloud database Redis provides the plain table lookup, and with locality aware hashing we gather input data for our predictionmore » scheme. For the latter we use kriging, which estimates an unknown value and its uncertainty (error) at a specific location in parameter space by using weighted averages of the neighboring points. We find that our adaptive scheme significantly improves simulation performance by a factor of 2.5 to 25, while retaining high accuracy for various choices of the algorithm parameters.« less

Influence of container shape on scaling of turbulent fluctuations in convection.

PubMed

Foroozani, N; Niemela, J J; Armenio, V; Sreenivasan, K R

2014-12-01

We perform large-eddy simulations of turbulent convection in a cubic cell for Rayleigh numbers, Ra, between 10(6) and 10(10) and the molecular Prandtl number, Pr=0.7. The simulations were carried out using a second-order-accurate finite-difference method in which subgrid-scale fluxes of momentum and heat were both parametrized using a Lagrangian and dynamic Smagorinsky model. The scaling of the root-mean-square fluctuations of density (temperature) and velocity measured in the cell center are in excellent agreement with the scaling measured in the laboratory experiments of Daya and Ecke [Phys. Rev. Lett. 87, 184501 (2001)] and differ substantially from that observed in cylindrical cells. We also observe the time-averaged spatial distributions of the local heat flux and density fluctuations, and find that they are strongly inhomogeneous in the horizontal midplane, with the largest density gradients occurring at the corners at the midheight, where hot and cold plumes mix in the form of strong counter-rotating eddies.

Testing Linear Temporal Logic Formulae on Finite Execution Traces

NASA Technical Reports Server (NTRS)

Havelund, Klaus; Rosu, Grigore; Norvig, Peter (Technical Monitor)

2001-01-01

We present an algorithm for efficiently testing Linear Temporal Logic (LTL) formulae on finite execution traces. The standard models of LTL are infinite traces, reflecting the behavior of reactive and concurrent systems which conceptually may be continuously alive. In most past applications of LTL. theorem provers and model checkers have been used to formally prove that down-scaled models satisfy such LTL specifications. Our goal is instead to use LTL for up-scaled testing of real software applications. Such tests correspond to analyzing the conformance of finite traces against LTL formulae. We first describe what it means for a finite trace to satisfy an LTL property. We then suggest an optimized algorithm based on transforming LTL formulae. The work is done using the Maude rewriting system. which turns out to provide a perfect notation and an efficient rewriting engine for performing these experiments.

Two-dimensional dynamics of elasto-inertial turbulence and its role in polymer drag reduction

NASA Astrophysics Data System (ADS)

Sid, S.; Terrapon, V. E.; Dubief, Y.

2018-02-01

The goal of the present study is threefold: (i) to demonstrate the two-dimensional nature of the elasto-inertial instability in elasto-inertial turbulence (EIT), (ii) to identify the role of the bidimensional instability in three-dimensional EIT flows, and (iii) to establish the role of the small elastic scales in the mechanism of self-sustained EIT. Direct numerical simulations of viscoelastic fluid flows are performed in both two- and three-dimensional straight periodic channels using the Peterlin finitely extensible nonlinear elastic model (FENE-P). The Reynolds number is set to Reτ=85 , which is subcritical for two-dimensional flows but beyond the transition for three-dimensional ones. The polymer properties selected correspond to those of typical dilute polymer solutions, and two moderate Weissenberg numbers, Wiτ=40 ,100 , are considered. The simulation results show that sustained turbulence can be observed in two-dimensional subcritical flows, confirming the existence of a bidimensional elasto-inertial instability. The same type of instability is also observed in three-dimensional simulations where both Newtonian and elasto-inertial turbulent structures coexist. Depending on the Wi number, one type of structure can dominate and drive the flow. For large Wi values, the elasto-inertial instability tends to prevail over the Newtonian turbulence. This statement is supported by (i) the absence of typical Newtonian near-wall vortices and (ii) strong similarities between two- and three-dimensional flows when considering larger Wi numbers. The role of small elastic scales is investigated by introducing global artificial diffusion (GAD) in the hyperbolic transport equation for polymers. The aim is to measure how the flow reacts when the smallest elastic scales are progressively filtered out. The study results show that the introduction of large polymer diffusion in the system strongly damps a significant part of the elastic scales that are necessary to feed turbulence, eventually leading to flow laminarization. A sufficiently high Schmidt number (weakly diffusive polymers) is necessary to allow self-sustained turbulence to settle. Although EIT can withstand a low amount of diffusion and remains in a nonlaminar chaotic state, adding a finite amount of GAD in the system can have an impact on the dynamics and lead to important quantitative changes, even for Schmidt numbers as large as 102. The use of GAD should therefore be avoided in viscoelastic flow simulations.

Observational constraints on finite scale factor singularities

DOE Office of Scientific and Technical Information (OSTI.GOV)

Denkiewicz, Tomasz, E-mail: atomekd@wmf.univ.szczecin.pl

2012-07-01

We discuss the combined constraints on a Finite Scale Factor Singularity (FSF) universe evolution scenario, which come from the shift parameter R, baryon acoustic oscillations (BAO) A, and from the type Ia supernovae. We show that observations allow existence of such singularities in the 2 × 10{sup 9} years in future (at 1σ CL) which is much farther than a Sudden Future Singularity (SFS), and that at the present moment of the cosmic evolution, one cannot differentiate between cosmological scenario which allow finite scale factor singularities and the standard ΛCDM dark energy models. We also show that there is anmore » allowed value of m = 2/3 within 1σ CL, which corresponds to a dust-filled Einstein-de-Sitter universe limit of the early time evolution and so it is pasted into a standard early-time scenario.« less

Chiral Luttinger liquids and a generalized Luttinger's theorem in fractional quantum Hall edges via finite-entanglement scaling

NASA Astrophysics Data System (ADS)

Varjas, Daniel; Zaletel, Michael; Moore, Joel

2014-03-01

We use bosonic field theories and the infinite system density matrix renormalization group (iDMRG) method to study infinite strips of fractional quantum Hall (FQH) states starting from microscopic Hamiltonians. Finite-entanglement scaling allows us to accurately measure chiral central charge, edge mode exponents and momenta without finite-size errors. We analyze states in the first and second level of the standard hierarchy and compare our results to predictions of the chiral Luttinger liquid (χLL) theory. The results confirm the universality of scaling exponents in chiral edges and demonstrate that renormalization is subject to universal relations in the non-chiral case. We prove a generalized Luttinger's theorem involving all singularities in the momentum-resolved density, which naturally arises when mapping Landau levels on a cylinder to a fermion chain and deepens our understanding of non-Fermi liquids in 1D.

Chiral Luttinger liquids and a generalized Luttinger theorem in fractional quantum Hall edges via finite-entanglement scaling

NASA Astrophysics Data System (ADS)

Varjas, Dániel; Zaletel, Michael P.; Moore, Joel E.

2013-10-01

We use bosonic field theories and the infinite system density matrix renormalization group method to study infinite strips of fractional quantum Hall states starting from microscopic Hamiltonians. Finite-entanglement scaling allows us to accurately measure chiral central charge, edge-mode exponents, and momenta without finite-size errors. We analyze states in the first and second levels of the standard hierarchy and compare our results to predictions of the chiral Luttinger liquid theory. The results confirm the universality of scaling exponents in chiral edges and demonstrate that renormalization is subject to universal relations in the nonchiral case. We prove a generalized Luttinger theorem involving all singularities in the momentum-resolved density, which naturally arises when mapping Landau levels on a cylinder to a fermion chain and deepens our understanding of non-Fermi liquids in one dimension.

Predicting Print-thru for the Sub-scale Beryllium Mirror Demonstrator (SBMD)

NASA Technical Reports Server (NTRS)

Craig, Larry; J. Kevin Russell (Technical Monitor)

2002-01-01

This document presents a finite element method for predicting print-thru or quilting for a lightweight mirror in a low temperature environment. The mirror is represented with quadrilateral and triangular plate finite elements. The SBMD (Sub-scale Beryllium Mirror Demonstrator) is circular with a diameter of 50 cm and one flat side. The mirror structure is a thin-wall triangular cell core with a single facesheet. There is a 4 mm radius fillet between the facesheet and cell walls. It is made entirely of Beryllium. It is assumed that polishing the mirror surface creates a thin surface layer with different material properties. Finite element results are compared with measured values at cryogenic temperatures.

Finite volume solution of the compressible boundary-layer equations

NASA Technical Reports Server (NTRS)

Loyd, B.; Murman, E. M.

1986-01-01

A box-type finite volume discretization is applied to the integral form of the compressible boundary layer equations. Boundary layer scaling is introduced through the grid construction: streamwise grid lines follow eta = y/h = const., where y is the normal coordinate and h(x) is a scale factor proportional to the boundary layer thickness. With this grid, similarity can be applied explicity to calculate initial conditions. The finite volume method preserves the physical transparency of the integral equations in the discrete approximation. The resulting scheme is accurate, efficient, and conceptually simple. Computations for similar and non-similar flows show excellent agreement with tabulated results, solutions computed with Keller's Box scheme, and experimental data.

A parallel finite element simulator for ion transport through three-dimensional ion channel systems.

PubMed

Tu, Bin; Chen, Minxin; Xie, Yan; Zhang, Linbo; Eisenberg, Bob; Lu, Benzhuo

2013-09-15

A parallel finite element simulator, ichannel, is developed for ion transport through three-dimensional ion channel systems that consist of protein and membrane. The coordinates of heavy atoms of the protein are taken from the Protein Data Bank and the membrane is represented as a slab. The simulator contains two components: a parallel adaptive finite element solver for a set of Poisson-Nernst-Planck (PNP) equations that describe the electrodiffusion process of ion transport, and a mesh generation tool chain for ion channel systems, which is an essential component for the finite element computations. The finite element method has advantages in modeling irregular geometries and complex boundary conditions. We have built a tool chain to get the surface and volume mesh for ion channel systems, which consists of a set of mesh generation tools. The adaptive finite element solver in our simulator is implemented using the parallel adaptive finite element package Parallel Hierarchical Grid (PHG) developed by one of the authors, which provides the capability of doing large scale parallel computations with high parallel efficiency and the flexibility of choosing high order elements to achieve high order accuracy. The simulator is applied to a real transmembrane protein, the gramicidin A (gA) channel protein, to calculate the electrostatic potential, ion concentrations and I - V curve, with which both primitive and transformed PNP equations are studied and their numerical performances are compared. To further validate the method, we also apply the simulator to two other ion channel systems, the voltage dependent anion channel (VDAC) and α-Hemolysin (α-HL). The simulation results agree well with Brownian dynamics (BD) simulation results and experimental results. Moreover, because ionic finite size effects can be included in PNP model now, we also perform simulations using a size-modified PNP (SMPNP) model on VDAC and α-HL. It is shown that the size effects in SMPNP can effectively lead to reduced current in the channel, and the results are closer to BD simulation results. Copyright © 2013 Wiley Periodicals, Inc.

Elastic collapse in disordered isostatic networks

NASA Astrophysics Data System (ADS)

Moukarzel, C. F.

2012-02-01

Isostatic networks are minimally rigid and therefore have, generically, nonzero elastic moduli. Regular isostatic networks have finite moduli in the limit of large sizes. However, numerical simulations show that all elastic moduli of geometrically disordered isostatic networks go to zero with system size. This holds true for positional as well as for topological disorder. In most cases, elastic moduli decrease as inverse power laws of system size. On directed isostatic networks, however, of which the square and cubic lattices are particular cases, the decrease of the moduli is exponential with size. For these, the observed elastic weakening can be quantitatively described in terms of the multiplicative growth of stresses with system size, giving rise to bulk and shear moduli of order e-bL. The case of sphere packings, which only accept compressive contact forces, is considered separately. It is argued that these have a finite bulk modulus because of specific correlations in contact disorder, introduced by the constraint of compressivity. We discuss why their shear modulus, nevertheless, is again zero for large sizes. A quantitative model is proposed that describes the numerically measured shear modulus, both as a function of the loading angle and system size. In all cases, if a density p>0 of overconstraints is present, as when a packing is deformed by compression or when a glass is outside its isostatic composition window, all asymptotic moduli become finite. For square networks with periodic boundary conditions, these are of order \\sqrt{p} . For directed networks, elastic moduli are of order e-c/p, indicating the existence of an "isostatic length scale" of order 1/p.

Multi-scale heterogeneity of the 2011 Great Tohoku-oki Earthquake from dynamic simulations

NASA Astrophysics Data System (ADS)

Aochi, H.; Ide, S.

2011-12-01

In order to explain the scaling issues of earthquakes of different sizes, multi-scale heterogeneity conception is necessary to characterize earthquake faulting property (Ide and Aochi, JGR, 2005; Aochi and Ide, JGR, 2009).The 2011 Great Tohoku-oki earthquake (M9) is characterized by a slow initial phase of about M7, a M8 class deep rupture, and a M9 main rupture with quite large slip near the trench (e.g. Ide et al., Science, 2011) as well as the presence of foreshocks. We dynamically model these features based on the multi-scale conception. We suppose a significantly large fracture energy (corresponding to slip-weakening distance of 3.2 m) in most of the fault dimension to represent the M9 rupture. However we give local heterogeneity with relatively small circular patches of smaller fracture energy, by assuming the linear scaling relation between the radius and fracture energy. The calculation is carried out using 3D Boundary Integral Equation Method. We first begin only with the mainshock (Aochi and Ide, EPS, 2011), but later we find it important to take into account of a series of foreshocks since the 9th March (M7.4). The smaller patches including the foreshock area are necessary to launch the M9 rupture area of large fracture energy. We then simulate the ground motion in low frequencies using Finite Difference Method. Qualitatively, the observed tendency is consistent with our simulations, in the meaning of the transition from the central part to the southern part in low frequencies (10 - 20 sec). At higher frequencies (1-10 sec), further small asperities are inferred in the observed signals, and this feature matches well with our multi-scale conception.

Osborne Reynolds pipe flow: Direct simulation from laminar through gradual transition to fully developed turbulence.

PubMed

Wu, Xiaohua; Moin, Parviz; Adrian, Ronald J; Baltzer, Jon R

2015-06-30

The precise dynamics of breakdown in pipe transition is a century-old unresolved problem in fluid mechanics. We demonstrate that the abruptness and mysteriousness attributed to the Osborne Reynolds pipe transition can be partially resolved with a spatially developing direct simulation that carries weakly but finitely perturbed laminar inflow through gradual rather than abrupt transition arriving at the fully developed turbulent state. Our results with this approach show during transition the energy norms of such inlet perturbations grow exponentially rather than algebraically with axial distance. When inlet disturbance is located in the core region, helical vortex filaments evolve into large-scale reverse hairpin vortices. The interaction of these reverse hairpins among themselves or with the near-wall flow when they descend to the surface from the core produces small-scale hairpin packets, which leads to breakdown. When inlet disturbance is near the wall, certain quasi-spanwise structure is stretched into a Lambda vortex, and develops into a large-scale hairpin vortex. Small-scale hairpin packets emerge near the tip region of the large-scale hairpin vortex, and subsequently grow into a turbulent spot, which is itself a local concentration of small-scale hairpin vortices. This vortex dynamics is broadly analogous to that in the boundary layer bypass transition and in the secondary instability and breakdown stage of natural transition, suggesting the possibility of a partial unification. Under parabolic base flow the friction factor overshoots Moody's correlation. Plug base flow requires stronger inlet disturbance for transition. Accuracy of the results is demonstrated by comparing with analytical solutions before breakdown, and with fully developed turbulence measurements after the completion of transition.

Osborne Reynolds pipe flow: Direct simulation from laminar through gradual transition to fully developed turbulence

PubMed Central

Wu, Xiaohua; Moin, Parviz; Adrian, Ronald J.; Baltzer, Jon R.

2015-01-01

The precise dynamics of breakdown in pipe transition is a century-old unresolved problem in fluid mechanics. We demonstrate that the abruptness and mysteriousness attributed to the Osborne Reynolds pipe transition can be partially resolved with a spatially developing direct simulation that carries weakly but finitely perturbed laminar inflow through gradual rather than abrupt transition arriving at the fully developed turbulent state. Our results with this approach show during transition the energy norms of such inlet perturbations grow exponentially rather than algebraically with axial distance. When inlet disturbance is located in the core region, helical vortex filaments evolve into large-scale reverse hairpin vortices. The interaction of these reverse hairpins among themselves or with the near-wall flow when they descend to the surface from the core produces small-scale hairpin packets, which leads to breakdown. When inlet disturbance is near the wall, certain quasi-spanwise structure is stretched into a Lambda vortex, and develops into a large-scale hairpin vortex. Small-scale hairpin packets emerge near the tip region of the large-scale hairpin vortex, and subsequently grow into a turbulent spot, which is itself a local concentration of small-scale hairpin vortices. This vortex dynamics is broadly analogous to that in the boundary layer bypass transition and in the secondary instability and breakdown stage of natural transition, suggesting the possibility of a partial unification. Under parabolic base flow the friction factor overshoots Moody’s correlation. Plug base flow requires stronger inlet disturbance for transition. Accuracy of the results is demonstrated by comparing with analytical solutions before breakdown, and with fully developed turbulence measurements after the completion of transition. PMID:26080447

Osborne Reynolds pipe flow: Direct simulation from laminar through gradual transition to fully developed turbulence

DOE Office of Scientific and Technical Information (OSTI.GOV)

Wu, Xiaohua; Moin, Parviz; Adrian, Ronald J.

We report that the precise dynamics of breakdown in pipe transition is a century-old unresolved problem in fluid mechanics. We demonstrate that the abruptness and mysteriousness attributed to the Osborne Reynolds pipe transition can be partially resolved with a spatially developing direct simulation that carries weakly but finitely perturbed laminar inflow through gradual rather than abrupt transition arriving at the fully developed turbulent state. Our results with this approach show during transition the energy norms of such inlet perturbations grow exponentially rather than algebraically with axial distance. When inlet disturbance is located in the core region, helical vortex filaments evolvemore » into large-scale reverse hairpin vortices. The interaction of these reverse hairpins among themselves or with the near-wall flow when they descend to the surface from the core produces small-scale hairpin packets, which leads to breakdown. When inlet disturbance is near the wall, certain quasi-spanwise structure is stretched into a Lambda vortex, and develops into a large-scale hairpin vortex. Small-scale hairpin packets emerge near the tip region of the large-scale hairpin vortex, and subsequently grow into a turbulent spot, which is itself a local concentration of small-scale hairpin vortices. This vortex dynamics is broadly analogous to that in the boundary layer bypass transition and in the secondary instability and breakdown stage of natural transition, suggesting the possibility of a partial unification. Under parabolic base flow the friction factor overshoots Moody’s correlation. Plug base flow requires stronger inlet disturbance for transition. Finally, accuracy of the results is demonstrated by comparing with analytical solutions before breakdown, and with fully developed turbulence measurements after the completion of transition.« less

Osborne Reynolds pipe flow: Direct simulation from laminar through gradual transition to fully developed turbulence

DOE PAGES

Wu, Xiaohua; Moin, Parviz; Adrian, Ronald J.; ...

2015-06-15

We report that the precise dynamics of breakdown in pipe transition is a century-old unresolved problem in fluid mechanics. We demonstrate that the abruptness and mysteriousness attributed to the Osborne Reynolds pipe transition can be partially resolved with a spatially developing direct simulation that carries weakly but finitely perturbed laminar inflow through gradual rather than abrupt transition arriving at the fully developed turbulent state. Our results with this approach show during transition the energy norms of such inlet perturbations grow exponentially rather than algebraically with axial distance. When inlet disturbance is located in the core region, helical vortex filaments evolvemore » into large-scale reverse hairpin vortices. The interaction of these reverse hairpins among themselves or with the near-wall flow when they descend to the surface from the core produces small-scale hairpin packets, which leads to breakdown. When inlet disturbance is near the wall, certain quasi-spanwise structure is stretched into a Lambda vortex, and develops into a large-scale hairpin vortex. Small-scale hairpin packets emerge near the tip region of the large-scale hairpin vortex, and subsequently grow into a turbulent spot, which is itself a local concentration of small-scale hairpin vortices. This vortex dynamics is broadly analogous to that in the boundary layer bypass transition and in the secondary instability and breakdown stage of natural transition, suggesting the possibility of a partial unification. Under parabolic base flow the friction factor overshoots Moody’s correlation. Plug base flow requires stronger inlet disturbance for transition. Finally, accuracy of the results is demonstrated by comparing with analytical solutions before breakdown, and with fully developed turbulence measurements after the completion of transition.« less

Renormalization of concurrence: The application of the quantum renormalization group to quantum-information systems

NASA Astrophysics Data System (ADS)

Kargarian, M.; Jafari, R.; Langari, A.

2007-12-01

We have combined the idea of renormalization group and quantum-information theory. We have shown how the entanglement or concurrence evolve as the size of the system becomes large, i.e., the finite size scaling is obtained. Moreover, we introduce how the renormalization-group approach can be implemented to obtain the quantum-information properties of a many-body system. We have obtained the concurrence as a measure of entanglement, its derivatives and their scaling behavior versus the size of system for the one-dimensional Ising model in transverse field. We have found that the derivative of concurrence between two blocks each containing half of the system size diverges at the critical point with the exponent, which is directly associated with the divergence of the correlation length.

An evolving effective stress approach to anisotropic distortional hardening

DOE PAGES

Lester, B. T.; Scherzinger, W. M.

2018-03-11

A new yield surface with an evolving effective stress definition is proposed for consistently and efficiently describing anisotropic distortional hardening. Specifically, a new internal state variable is introduced to capture the thermodynamic evolution between different effective stress definitions. The corresponding yield surface and evolution equations of the internal variables are derived from thermodynamic considerations enabling satisfaction of the second law. A closest point projection return mapping algorithm for the proposed model is formulated and implemented for use in finite element analyses. Finally, select constitutive and larger scale boundary value problems are solved to explore the capabilities of the model andmore » examine the impact of distortional hardening on constitutive and structural responses. Importantly, these simulations demonstrate the tractability of the proposed formulation in investigating large-scale problems of interest.« less

An evolving effective stress approach to anisotropic distortional hardening

DOE Office of Scientific and Technical Information (OSTI.GOV)

Lester, B. T.; Scherzinger, W. M.

A new yield surface with an evolving effective stress definition is proposed for consistently and efficiently describing anisotropic distortional hardening. Specifically, a new internal state variable is introduced to capture the thermodynamic evolution between different effective stress definitions. The corresponding yield surface and evolution equations of the internal variables are derived from thermodynamic considerations enabling satisfaction of the second law. A closest point projection return mapping algorithm for the proposed model is formulated and implemented for use in finite element analyses. Finally, select constitutive and larger scale boundary value problems are solved to explore the capabilities of the model andmore » examine the impact of distortional hardening on constitutive and structural responses. Importantly, these simulations demonstrate the tractability of the proposed formulation in investigating large-scale problems of interest.« less

The leading term of the Plancherel-Rotach asymptotic formula for solutions of recurrence relations

DOE Office of Scientific and Technical Information (OSTI.GOV)

Aptekarev, A I; Tulyakov, D N

Recurrence relations generating Padé and Hermite-Padé polynomials are considered. Their coefficients increase with the index of the relation, but after dividing by an appropriate power of the scaling function they tend to a finite limit. As a result, after scaling the polynomials 'stabilize' for large indices; this type of asymptotic behaviour is called Plancherel-Rotach asymptotics. An explicit expression for the leading term of the asymptotic formula, which is valid outside sets containing the zeros of the polynomials, is obtained for wide classes of three- and four-term relations. For three-term recurrence relations this result generalizes a theorem Van Assche obtained for recurrence relations withmore » 'regularly' growing coefficients. Bibliography: 19 titles.« less

Large fluctuations in anti-coordination games on scale-free graphs

NASA Astrophysics Data System (ADS)

Sabsovich, Daniel; Mobilia, Mauro; Assaf, Michael

2017-05-01

We study the influence of the complex topology of scale-free graphs on the dynamics of anti-coordination games (e.g. snowdrift games). These reference models are characterized by the coexistence (evolutionary stable mixed strategy) of two competing species, say ‘cooperators’ and ‘defectors’, and, in finite systems, by metastability and large-fluctuation-driven fixation. In this work, we use extensive computer simulations and an effective diffusion approximation (in the weak selection limit) to determine under which circumstances, depending on the individual-based update rules, the topology drastically affects the long-time behavior of anti-coordination games. In particular, we compute the variance of the number of cooperators in the metastable state and the mean fixation time when the dynamics is implemented according to the voter model (death-first/birth-second process) and the link dynamics (birth/death or death/birth at random). For the voter update rule, we show that the scale-free topology effectively renormalizes the population size and as a result the statistics of observables depend on the network’s degree distribution. In contrast, such a renormalization does not occur with the link dynamics update rule and we recover the same behavior as on complete graphs.

Emergent dimensions and branes from large-N confinement

NASA Astrophysics Data System (ADS)

Cherman, Aleksey; Poppitz, Erich

2016-12-01

N =1 S U (N ) super-Yang-Mills theory on R3×S1 is believed to have a smooth dependence on the circle size L . Making L small leads to calculable nonperturbative color confinement, mass gap, and string tensions. For finite N , the small-L low-energy dynamics is described by a three-dimensional effective theory. The large-N limit, however, reveals surprises: the infrared dual description is in terms of a theory with an emergent fourth dimension, curiously reminiscent of T-duality in string theory. Here, however, the emergent dimension is a lattice, with momenta related to the S1-winding of the gauge field holonomy, which takes values in ZN. Furthermore, the low-energy description is given by a nontrivial gapless theory, with a space-like z =2 Lifshitz scale invariance and operators that pick up anomalous dimensions as L is increased. Supersymmetry-breaking deformations leave the long-distance theory scale-invariant, but change the Lifshitz scaling exponent to z =1 , and lead to an emergent Lorentz symmetry at small L . Adding a small number of fundamental fermion fields leads to matter localized on three-dimensional branes in the emergent four-dimensional theory.

First-principles study of the binding energy between nanostructures and its scaling with system size

NASA Astrophysics Data System (ADS)

Tao, Jianmin; Jiao, Yang; Mo, Yuxiang; Yang, Zeng-Hui; Zhu, Jian-Xin; Hyldgaard, Per; Perdew, John P.

2018-04-01

The equilibrium van der Waals binding energy is an important factor in the design of materials and devices. However, it presents great computational challenges for materials built up from nanostructures. Here we investigate the binding-energy scaling behavior from first-principles calculations. We show that the equilibrium binding energy per atom between identical nanostructures can scale up or down with nanostructure size, but can be parametrized for large N with an analytical formula (in meV/atom), Eb/N =a +b /N +c /N2+d /N3 , where N is the number of atoms in a nanostructure and a , b , c , and d are fitting parameters, depending on the properties of a nanostructure. The formula is consistent with a finite large-size limit of binding energy per atom. We find that there are two competing factors in the determination of the binding energy: Nonadditivities of van der Waals coefficients and center-to-center distance between nanostructures. To decode the detail, the nonadditivity of the static multipole polarizability is investigated from an accurate spherical-shell model. We find that the higher-order multipole polarizability displays ultrastrong intrinsic nonadditivity, no matter if the dipole polarizability is additive or not.

A multi-scale network method for two-phase flow in porous media

DOE Office of Scientific and Technical Information (OSTI.GOV)

Khayrat, Karim, E-mail: khayratk@ifd.mavt.ethz.ch; Jenny, Patrick

Pore-network models of porous media are useful in the study of pore-scale flow in porous media. In order to extract macroscopic properties from flow simulations in pore-networks, it is crucial the networks are large enough to be considered representative elementary volumes. However, existing two-phase network flow solvers are limited to relatively small domains. For this purpose, a multi-scale pore-network (MSPN) method, which takes into account flow-rate effects and can simulate larger domains compared to existing methods, was developed. In our solution algorithm, a large pore network is partitioned into several smaller sub-networks. The algorithm to advance the fluid interfaces withinmore » each subnetwork consists of three steps. First, a global pressure problem on the network is solved approximately using the multiscale finite volume (MSFV) method. Next, the fluxes across the subnetworks are computed. Lastly, using fluxes as boundary conditions, a dynamic two-phase flow solver is used to advance the solution in time. Simulation results of drainage scenarios at different capillary numbers and unfavourable viscosity ratios are presented and used to validate the MSPN method against solutions obtained by an existing dynamic network flow solver.« less

Epidemic Threshold in Structured Scale-Free Networks

NASA Astrophysics Data System (ADS)

EguíLuz, VíCtor M.; Klemm, Konstantin

2002-08-01

We analyze the spreading of viruses in scale-free networks with high clustering and degree correlations, as found in the Internet graph. For the susceptible-infected-susceptible model of epidemics the prevalence undergoes a phase transition at a finite threshold of the transmission probability. Comparing with the absence of a finite threshold in networks with purely random wiring, our result suggests that high clustering (modularity) and degree correlations protect scale-free networks against the spreading of viruses. We introduce and verify a quantitative description of the epidemic threshold based on the connectivity of the neighborhoods of the hubs.

Many-body delocalization in a strongly disordered system with long-range interactions: Finite-size scaling

NASA Astrophysics Data System (ADS)

Burin, Alexander L.

2015-03-01

Many-body localization in a disordered system of interacting spins coupled by the long-range interaction 1 /Rα is investigated combining analytical theory considering resonant interactions and a finite-size scaling of exact numerical solutions with number of spins N . The numerical results for a one-dimensional system are consistent with the general expectations of analytical theory for a d -dimensional system including the absence of localization in the infinite system at α <2 d and a universal scaling of a critical energy disordering Wc∝N2/d -α d .

Scaling in two-fluid pinch-off

NASA Astrophysics Data System (ADS)

Pommer, Chris; Harris, Michael; Basaran, Osman

2010-11-01

The physics of two-fluid pinch-off, which arises whenever drops, bubbles, or jets of one fluid are ejected from a nozzle into another fluid, is scientifically important and technologically relevant. While the breakup of a drop in a passive environment is well understood, the physics of pinch-off when both the inner and outer fluids are dynamically active remains inadequately understood. Here, the breakup of a compound jet whose core and shell are incompressible Newtonian fluids is analyzed computationally when the interior is a "bubble" and the exterior is a liquid. The numerical method employed is an implicit method of lines ALE algorithm which uses finite elements with elliptic mesh generation and adaptive finite differences for time integration. Thus, the new approach neither starts with a priori idealizations, as has been the case with previous computations, nor is limited to length scales above that set by the wavelength of visible light as in any experimental study. In particular, three distinct responses are identified as the ratio m of the outer fluid's viscosity to the inner fluid's viscosity is varied. For small m, simulations show that the minimum neck radius r initially scales with time τ before breakup as r ˜0.58° (in accord with previous experiments and inviscid fluid models) but that r ˜τ once r becomes sufficiently small. For intermediate and large values of m, r ˜&αcirc;, where the exponent α may not equal one, once again as r becomes sufficiently small.

An efficient, explicit finite-rate algorithm to compute flows in chemical nonequilibrium

NASA Technical Reports Server (NTRS)

Palmer, Grant

1989-01-01

An explicit finite-rate code was developed to compute hypersonic viscous chemically reacting flows about three-dimensional bodies. Equations describing the finite-rate chemical reactions were fully coupled to the gas dynamic equations using a new coupling technique. The new technique maintains stability in the explicit finite-rate formulation while permitting relatively large global time steps.

Scaling effects in the static and dynamic response of graphite-epoxy beam-columns. Ph.D. Thesis - Virginia Polytechnic Inst. and State Univ.

NASA Technical Reports Server (NTRS)

Jackson, Karen E.

1990-01-01

Scale model technology represents one method of investigating the behavior of advanced, weight-efficient composite structures under a variety of loading conditions. It is necessary, however, to understand the limitations involved in testing scale model structures before the technique can be fully utilized. These limitations, or scaling effects, are characterized. in the large deflection response and failure of composite beams. Scale model beams were loaded with an eccentric axial compressive load designed to produce large bending deflections and global failure. A dimensional analysis was performed on the composite beam-column loading configuration to determine a model law governing the system response. An experimental program was developed to validate the model law under both static and dynamic loading conditions. Laminate stacking sequences including unidirectional, angle ply, cross ply, and quasi-isotropic were tested to examine a diversity of composite response and failure modes. The model beams were loaded under scaled test conditions until catastrophic failure. A large deflection beam solution was developed to compare with the static experimental results and to analyze beam failure. Also, the finite element code DYCAST (DYnamic Crash Analysis of STructure) was used to model both the static and impulsive beam response. Static test results indicate that the unidirectional and cross ply beam responses scale as predicted by the model law, even under severe deformations. In general, failure modes were consistent between scale models within a laminate family; however, a significant scale effect was observed in strength. The scale effect in strength which was evident in the static tests was also observed in the dynamic tests. Scaling of load and strain time histories between the scale model beams and the prototypes was excellent for the unidirectional beams, but inconsistent results were obtained for the angle ply, cross ply, and quasi-isotropic beams. Results show that valuable information can be obtained from testing on scale model composite structures, especially in the linear elastic response region. However, due to scaling effects in the strength behavior of composite laminates, caution must be used in extrapolating data taken from a scale model test when that test involves failure of the structure.

Inverse finite-size scaling for high-dimensional significance analysis

NASA Astrophysics Data System (ADS)

Xu, Yingying; Puranen, Santeri; Corander, Jukka; Kabashima, Yoshiyuki

2018-06-01

We propose an efficient procedure for significance determination in high-dimensional dependence learning based on surrogate data testing, termed inverse finite-size scaling (IFSS). The IFSS method is based on our discovery of a universal scaling property of random matrices which enables inference about signal behavior from much smaller scale surrogate data than the dimensionality of the original data. As a motivating example, we demonstrate the procedure for ultra-high-dimensional Potts models with order of 1010 parameters. IFSS reduces the computational effort of the data-testing procedure by several orders of magnitude, making it very efficient for practical purposes. This approach thus holds considerable potential for generalization to other types of complex models.

A Parallel Finite Set Statistical Simulator for Multi-Target Detection and Tracking

NASA Astrophysics Data System (ADS)

Hussein, I.; MacMillan, R.

2014-09-01

Finite Set Statistics (FISST) is a powerful Bayesian inference tool for the joint detection, classification and tracking of multi-target environments. FISST is capable of handling phenomena such as clutter, misdetections, and target birth and decay. Implicit within the approach are solutions to the data association and target label-tracking problems. Finally, FISST provides generalized information measures that can be used for sensor allocation across different types of tasks such as: searching for new targets, and classification and tracking of known targets. These FISST capabilities have been demonstrated on several small-scale illustrative examples. However, for implementation in a large-scale system as in the Space Situational Awareness problem, these capabilities require a lot of computational power. In this paper, we implement FISST in a parallel environment for the joint detection and tracking of multi-target systems. In this implementation, false alarms and misdetections will be modeled. Target birth and decay will not be modeled in the present paper. We will demonstrate the success of the method for as many targets as we possibly can in a desktop parallel environment. Performance measures will include: number of targets in the simulation, certainty of detected target tracks, computational time as a function of clutter returns and number of targets, among other factors.

Statistics of cosmic density profiles from perturbation theory

NASA Astrophysics Data System (ADS)

Bernardeau, Francis; Pichon, Christophe; Codis, Sandrine

2014-11-01

The joint probability distribution function (PDF) of the density within multiple concentric spherical cells is considered. It is shown how its cumulant generating function can be obtained at tree order in perturbation theory as the Legendre transform of a function directly built in terms of the initial moments. In the context of the upcoming generation of large-scale structure surveys, it is conjectured that this result correctly models such a function for finite values of the variance. Detailed consequences of this assumption are explored. In particular the corresponding one-cell density probability distribution at finite variance is computed for realistic power spectra, taking into account its scale variation. It is found to be in agreement with Λ -cold dark matter simulations at the few percent level for a wide range of density values and parameters. Related explicit analytic expansions at the low and high density tails are given. The conditional (at fixed density) and marginal probability of the slope—the density difference between adjacent cells—and its fluctuations is also computed from the two-cell joint PDF; it also compares very well to simulations. It is emphasized that this could prove useful when studying the statistical properties of voids as it can serve as a statistical indicator to test gravity models and/or probe key cosmological parameters.

Applied mathematical problems in modern electromagnetics

NASA Astrophysics Data System (ADS)

Kriegsman, Gregory

1994-05-01

We have primarily investigated two classes of electromagnetic problems. The first contains the quantitative description of microwave heating of dispersive and conductive materials. Such problems arise, for example, when biological tissue are exposed, accidentally or purposefully, to microwave radiation. Other instances occur in ceramic processing, such as sintering and microwave assisted chemical vapor infiltration and other industrial drying processes, such as the curing of paints and concrete. The second class characterizes the scattering of microwaves by complex targets which possess two or more disparate length and/or time scales. Spatially complex scatterers arise in a variety of applications, such as large gratings and slowly changing guiding structures. The former are useful in developing microstrip energy couplers while the later can be used to model anatomical subsystems (e.g., the open guiding structure composed of two legs and the adjoining lower torso). Temporally complex targets occur in applications involving dispersive media whose relaxation times differ by orders of magnitude from thermal and/or electromagnetic time scales. For both cases the mathematical description of the problems gives rise to complicated ill-conditioned boundary value problems, whose accurate solutions require a blend of both asymptotic techniques, such as multiscale methods and matched asymptotic expansions, and numerical methods incorporating radiation boundary conditions, such as finite differences and finite elements.

Numerical Analysis of Helical Pile-Soil Interaction under Compressive Loads

NASA Astrophysics Data System (ADS)

Polishchuk, A. I.; Maksimov, F. A.

2017-11-01

The results of the field tests of full-scale steel helical piles in clay soils intended for prefabricated temporary buildings foundations are presented in this article. The finite element modeling was used for the evaluation of stress distribution of the clay soil around helical piles. An approach of modeling of the screw-pile geometry has been proposed through the Finite Element Analysis. Steel helical piles with a length of 2.0 m, shaft diameter of 0.108 m and a blade diameter of 0.3 m were used in the experiments. The experiments have shown the efficiency of double-bladed helical piles in the clay soils compared to single-bladed piles. It has been experimentally established that the introduction of the second blade into the pile shaft provides an increase of the bearing capacity in clay soil up to 30% compared to a single-bladed helical pile with similar geometrical dimensions. The numerical results are compared with the measurements obtained by a large scale test and the bearing capacity has been estimated. It has been found that the model results fit the field results. For a double-bladed helical pile it was revealed that shear stresses upon pile loading are formed along the lateral surface forming a cylindrical failure surface.

Coastal ocean forecasting with an unstructured grid model in the southern Adriatic and northern Ionian seas

NASA Astrophysics Data System (ADS)

Federico, Ivan; Pinardi, Nadia; Coppini, Giovanni; Oddo, Paolo; Lecci, Rita; Mossa, Michele

2017-01-01

SANIFS (Southern Adriatic Northern Ionian coastal Forecasting System) is a coastal-ocean operational system based on the unstructured grid finite-element three-dimensional hydrodynamic SHYFEM model, providing short-term forecasts. The operational chain is based on a downscaling approach starting from the large-scale system for the entire Mediterranean Basin (MFS, Mediterranean Forecasting System), which provides initial and boundary condition fields to the nested system. The model is configured to provide hydrodynamics and active tracer forecasts both in open ocean and coastal waters of southeastern Italy using a variable horizontal resolution from the open sea (3-4 km) to coastal areas (50-500 m). Given that the coastal fields are driven by a combination of both local (also known as coastal) and deep-ocean forcings propagating along the shelf, the performance of SANIFS was verified both in forecast and simulation mode, first (i) on the large and shelf-coastal scales by comparing with a large-scale survey CTD (conductivity-temperature-depth) in the Gulf of Taranto and then (ii) on the coastal-harbour scale (Mar Grande of Taranto) by comparison with CTD, ADCP (acoustic doppler current profiler) and tide gauge data. Sensitivity tests were performed on initialization conditions (mainly focused on spin-up procedures) and on surface boundary conditions by assessing the reliability of two alternative datasets at different horizontal resolution (12.5 and 6.5 km). The SANIFS forecasts at a lead time of 1 day were compared with the MFS forecasts, highlighting that SANIFS is able to retain the large-scale dynamics of MFS. The large-scale dynamics of MFS are correctly propagated to the shelf-coastal scale, improving the forecast accuracy (+17 % for temperature and +6 % for salinity compared to MFS). Moreover, the added value of SANIFS was assessed on the coastal-harbour scale, which is not covered by the coarse resolution of MFS, where the fields forecasted by SANIFS reproduced the observations well (temperature RMSE equal to 0.11 °C). Furthermore, SANIFS simulations were compared with hourly time series of temperature, sea level and velocity measured on the coastal-harbour scale, showing a good agreement. Simulations in the Gulf of Taranto described a circulation mainly characterized by an anticyclonic gyre with the presence of cyclonic vortexes in shelf-coastal areas. A surface water inflow from the open sea to Mar Grande characterizes the coastal-harbour scale.

The nature of the laning transition in two dimensions

NASA Astrophysics Data System (ADS)

Glanz, T.; Löwen, H.

2012-11-01

If a binary colloidal mixture is oppositely driven by an external field, a transition towards a laned state occurs at sufficiently large drives, where particles driven alike form elongated structures (‘lanes’) characterized by a large correlation length ξ along the drive. Here we perform extensive Brownian dynamics computer simulations on a two-dimensional equimolar binary Yukawa system driven by a constant force that acts oppositely on the two species. We systematically address finite-size effects on lane formation by exploring large systems up to 262 144 particles under various boundary conditions. It is found that the correlation length ξ along the field depends exponentially on the driving force (or Peclet number). Conversely, in a finite system, ξ reaches a fraction of the system size at a driving force which is logarithmic in the system size, implying massive finite-size corrections. For a fixed finite drive, ξ does not diverge in the thermodynamic limit. Therefore, though laning has a signature as a sharp transition in a finite system, it is a smooth crossover in the thermodynamic limit.

Implementing a finite-state off-normal and fault response system for disruption avoidance in tokamaks

NASA Astrophysics Data System (ADS)

Eidietis, N. W.; Choi, W.; Hahn, S. H.; Humphreys, D. A.; Sammuli, B. S.; Walker, M. L.

2018-05-01

A finite-state off-normal and fault response (ONFR) system is presented that provides the supervisory logic for comprehensive disruption avoidance and machine protection in tokamaks. Robust event handling is critical for ITER and future large tokamaks, where plasma parameters will necessarily approach stability limits and many systems will operate near their engineering limits. Events can be classified as off-normal plasmas events, e.g. neoclassical tearing modes or vertical displacements events, or faults, e.g. coil power supply failures. The ONFR system presented provides four critical features of a robust event handling system: sequential responses to cascading events, event recovery, simultaneous handling of multiple events and actuator prioritization. The finite-state logic is implemented in Matlab®/Stateflow® to allow rapid development and testing in an easily understood graphical format before automated export to the real-time plasma control system code. Experimental demonstrations of the ONFR algorithm on the DIII-D and KSTAR tokamaks are presented. In the most complex demonstration, the ONFR algorithm asynchronously applies ‘catch and subdue’ electron cyclotron current drive (ECCD) injection scheme to suppress a virulent 2/1 neoclassical tearing mode, subsequently shuts down ECCD for machine protection when the plasma becomes over-dense, and enables rotating 3D field entrainment of the ensuing locked mode to allow a safe rampdown, all in the same discharge without user intervention. When multiple ONFR states are active simultaneously and requesting the same actuator (e.g. neutral beam injection or gyrotrons), actuator prioritization is accomplished by sorting the pre-assigned priority values of each active ONFR state and giving complete control of the actuator to the state with highest priority. This early experience makes evident that additional research is required to develop an improved actuator sharing protocol, as well as a methodology to minimize the number and topological complexity of states as the finite-state ONFR system is scaled to a large, highly constrained device like ITER.

Solution of Eshelby's inclusion problem with a bounded domain and Eshelby's tensor for a spherical inclusion in a finite spherical matrix based on a simplified strain gradient elasticity theory

NASA Astrophysics Data System (ADS)

Gao, X.-L.; Ma, H. M.

2010-05-01

A solution for Eshelby's inclusion problem of a finite homogeneous isotropic elastic body containing an inclusion prescribed with a uniform eigenstrain and a uniform eigenstrain gradient is derived in a general form using a simplified strain gradient elasticity theory (SSGET). An extended Betti's reciprocal theorem and an extended Somigliana's identity based on the SSGET are proposed and utilized to solve the finite-domain inclusion problem. The solution for the disturbed displacement field is expressed in terms of the Green's function for an infinite three-dimensional elastic body in the SSGET. It contains a volume integral term and a surface integral term. The former is the same as that for the infinite-domain inclusion problem based on the SSGET, while the latter represents the boundary effect. The solution reduces to that of the infinite-domain inclusion problem when the boundary effect is not considered. The problem of a spherical inclusion embedded concentrically in a finite spherical elastic body is analytically solved by applying the general solution, with the Eshelby tensor and its volume average obtained in closed forms. This Eshelby tensor depends on the position, inclusion size, matrix size, and material length scale parameter, and, as a result, can capture the inclusion size and boundary effects, unlike existing Eshelby tensors. It reduces to the classical Eshelby tensor for the spherical inclusion in an infinite matrix if both the strain gradient and boundary effects are suppressed. Numerical results quantitatively show that the inclusion size effect can be quite large when the inclusion is very small and that the boundary effect can dominate when the inclusion volume fraction is very high. However, the inclusion size effect is diminishing as the inclusion becomes large enough, and the boundary effect is vanishing as the inclusion volume fraction gets sufficiently low.

Implementing a finite-state off-normal and fault response system for disruption avoidance in tokamaks

DOE Office of Scientific and Technical Information (OSTI.GOV)

Eidietis, N. W.; Choi, W.; Hahn, S. H.

A finite-state off-normal and fault response (ONFR) system is presented that provides the supervisory logic for comprehensive disruption avoidance and machine protection in tokamaks. Robust event handling is critical for ITER and future large tokamaks, where plasma parameters will necessarily approach stability limits and many systems will operate near their engineering limits. Events can be classified as off-normal plasmas events, e.g. neoclassical tearing modes or vertical displacements events, or faults, e.g. coil power supply failures. The ONFR system presented provides four critical features of a robust event handling system: sequential responses to cascading events, event recovery, simultaneous handling of multiplemore » events and actuator prioritization. The finite-state logic is implemented in Matlab*/Stateflow* to allow rapid development and testing in an easily understood graphical format before automated export to the real-time plasma control system code. Experimental demonstrations of the ONFR algorithm on the DIII-D and KSTAR tokamaks are presented. In the most complex demonstration, the ONFR algorithm asynchronously applies “catch and subdue” electron cyclotron current drive (ECCD) injection scheme to suppress a virulent 2/1 neoclassical tearing mode, subsequently shuts down ECCD for machine protection when the plasma becomes over-dense, and enables rotating 3D field entrainment of the ensuing locked mode to allow a safe rampdown, all in the same discharge without user intervention. When multiple ONFR states are active simultaneously and requesting the same actuator (e.g. neutral beam injection or gyrotrons), actuator prioritization is accomplished by sorting the pre-assigned priority values of each active ONFR state and giving complete control of the actuator to the state with highest priority. This early experience makes evident that additional research is required to develop an improved actuator sharing protocol, as well as a methodology to minimize the number and topological complexity of states as the finite-state ONFR system is scaled to a large, highly constrained device like ITER.« less

Implementing a finite-state off-normal and fault response system for disruption avoidance in tokamaks

DOE PAGES

Eidietis, N. W.; Choi, W.; Hahn, S. H.; ...

2018-03-29

A finite-state off-normal and fault response (ONFR) system is presented that provides the supervisory logic for comprehensive disruption avoidance and machine protection in tokamaks. Robust event handling is critical for ITER and future large tokamaks, where plasma parameters will necessarily approach stability limits and many systems will operate near their engineering limits. Events can be classified as off-normal plasmas events, e.g. neoclassical tearing modes or vertical displacements events, or faults, e.g. coil power supply failures. The ONFR system presented provides four critical features of a robust event handling system: sequential responses to cascading events, event recovery, simultaneous handling of multiplemore » events and actuator prioritization. The finite-state logic is implemented in Matlab*/Stateflow* to allow rapid development and testing in an easily understood graphical format before automated export to the real-time plasma control system code. Experimental demonstrations of the ONFR algorithm on the DIII-D and KSTAR tokamaks are presented. In the most complex demonstration, the ONFR algorithm asynchronously applies “catch and subdue” electron cyclotron current drive (ECCD) injection scheme to suppress a virulent 2/1 neoclassical tearing mode, subsequently shuts down ECCD for machine protection when the plasma becomes over-dense, and enables rotating 3D field entrainment of the ensuing locked mode to allow a safe rampdown, all in the same discharge without user intervention. When multiple ONFR states are active simultaneously and requesting the same actuator (e.g. neutral beam injection or gyrotrons), actuator prioritization is accomplished by sorting the pre-assigned priority values of each active ONFR state and giving complete control of the actuator to the state with highest priority. This early experience makes evident that additional research is required to develop an improved actuator sharing protocol, as well as a methodology to minimize the number and topological complexity of states as the finite-state ONFR system is scaled to a large, highly constrained device like ITER.« less

Finite-difference fluid dynamics computer mathematical models for the design and interpretation of experiments for space flight. [atmospheric general circulation experiment, convection in a float zone, and the Bridgman-Stockbarger crystal growing system

NASA Technical Reports Server (NTRS)

Roberts, G. O.; Fowlis, W. W.; Miller, T. L.

1984-01-01

Numerical methods are used to design a spherical baroclinic flow model experiment of the large scale atmosphere flow for Spacelab. The dielectric simulation of radial gravity is only dominant in a low gravity environment. Computer codes are developed to study the processes at work in crystal growing systems which are also candidates for space flight. Crystalline materials rarely achieve their potential properties because of imperfections and component concentration variations. Thermosolutal convection in the liquid melt can be the cause of these imperfections. Such convection is suppressed in a low gravity environment. Two and three dimensional finite difference codes are being used for this work. Nonuniform meshes and implicit iterative methods are used. The iterative method for steady solutions is based on time stepping but has the options of different time steps for velocity and temperature and of a time step varying smoothly with position according to specified powers of the mesh spacings. This allows for more rapid convergence. The code being developed for the crystal growth studies allows for growth of the crystal as the solid-liquid interface. The moving interface is followed using finite differences; shape variations are permitted. For convenience in applying finite differences in the solid and liquid, a time dependent coordinate transformation is used to make this interface a coordinate surface.

Finite-size scaling of clique percolation on two-dimensional Moore lattices

NASA Astrophysics Data System (ADS)

Dong, Jia-Qi; Shen, Zhou; Zhang, Yongwen; Huang, Zi-Gang; Huang, Liang; Chen, Xiaosong

2018-05-01

Clique percolation has attracted much attention due to its significance in understanding topological overlap among communities and dynamical instability of structured systems. Rich critical behavior has been observed in clique percolation on Erdős-Rényi (ER) random graphs, but few works have discussed clique percolation on finite dimensional systems. In this paper, we have defined a series of characteristic events, i.e., the historically largest size jumps of the clusters, in the percolating process of adding bonds and developed a new finite-size scaling scheme based on the interval of the characteristic events. Through the finite-size scaling analysis, we have found, interestingly, that, in contrast to the clique percolation on an ER graph where the critical exponents are parameter dependent, the two-dimensional (2D) clique percolation simply shares the same critical exponents with traditional site or bond percolation, independent of the clique percolation parameters. This has been corroborated by bridging two special types of clique percolation to site percolation on 2D lattices. Mechanisms for the difference of the critical behaviors between clique percolation on ER graphs and on 2D lattices are also discussed.

Three dimensional finite temperature SU(3) gauge theory near the phase transition

NASA Astrophysics Data System (ADS)

Bialas, P.; Daniel, L.; Morel, A.; Petersson, B.

2013-06-01

We have measured the correlation function of Polyakov loops on the lattice in three dimensional SU(3) gauge theory near its finite temperature phase transition. Using a new and powerful application of finite size scaling, we furthermore extend the measurements of the critical couplings to considerably larger values of the lattice sizes, both in the temperature and space directions, than was investigated earlier in this theory. With the help of these measurements we perform a detailed finite size scaling analysis, showing that for the critical exponents of the two dimensional three state Potts model the mass and the susceptibility fall on unique scaling curves. This strongly supports the expectation that the gauge theory is in the same universality class. The Nambu-Goto string model on the other hand predicts that the exponent ν has the mean field value, which is quite different from the value in the abovementioned Potts model. Using our values of the critical couplings we also determine the continuum limit of the value of the critical temperature in terms of the square root of the zero temperature string tension. This value is very near to the prediction of the Nambu-Goto string model in spite of the different critical behaviour.

Empirical scaling of the length of the longest increasing subsequences of random walks

NASA Astrophysics Data System (ADS)

Mendonça, J. Ricardo G.

2017-02-01

We provide Monte Carlo estimates of the scaling of the length L n of the longest increasing subsequences of n-step random walks for several different distributions of step lengths, short and heavy-tailed. Our simulations indicate that, barring possible logarithmic corrections, {{L}n}∼ {{n}θ} with the leading scaling exponent 0.60≲ θ ≲ 0.69 for the heavy-tailed distributions of step lengths examined, with values increasing as the distribution becomes more heavy-tailed, and θ ≃ 0.57 for distributions of finite variance, irrespective of the particular distribution. The results are consistent with existing rigorous bounds for θ, although in a somewhat surprising manner. For random walks with step lengths of finite variance, we conjecture that the correct asymptotic behavior of L n is given by \\sqrt{n}\\ln n , and also propose the form for the subleading asymptotics. The distribution of L n was found to follow a simple scaling form with scaling functions that vary with θ. Accordingly, when the step lengths are of finite variance they seem to be universal. The nature of this scaling remains unclear, since we lack a working model, microscopic or hydrodynamic, for the behavior of the length of the longest increasing subsequences of random walks.

Physically based multiscale-viscoplastic model for metals and steel alloys: Theory and computation

NASA Astrophysics Data System (ADS)

Abed, Farid H.

The main requirement of large deformation problems such as high-speed machining, impact, and various primarily metal forming, is to develop constitutive relations which are widely applicable and capable of accounting for complex paths of deformation. Achieving such desirable goals for material like metals and steel alloys involves a comprehensive study of their microstructures and experimental observations under different loading conditions. In general, metal structures display a strong rate- and temperature-dependence when deformed non-uniformly into the inelastic range. This effect has important implications for an increasing number of applications in structural and engineering mechanics. The mechanical behavior of these applications cannot be characterized by classical (rate-independent) continuum theories because they incorporate no 'material length scales'. It is therefore necessary to develop a rate-dependent (viscoplasticity) continuum theory bridging the gap between the classical continuum theories and the microstructure simulations. Physically based vicoplasticity models for different types of metals (body centered cubic, face centered cubic and hexagonal close-packed) and steel alloys are derived in this work for this purpose. We adopt a multi-scale, hierarchical thermodynamic consistent framework to construct the material constitutive relations for the rate-dependent behavior. The concept of thermal activation energy, dislocations interactions mechanisms and the role of dislocations dynamics in crystals are used in the derivation process taking into consideration the contribution of the plastic strain evolution of dislocation density to the flow stress of polycrystalline metals. Material length scales are implicitly introduced into the governing equations through material rate-dependency (viscosity). The proposed framework is implemented into the commercially well-known finite element software ABAQUS. The finite element simulations of material instability problems converge to meaningful results upon further refinement of the finite element mesh due to the successful incorporation of the material length scale in the model formulations. It is shown that the model predicted results compare very well with different experimental data over a wide range of temperatures (77K°-1000K°) and strain rates (10-3-10 4s-1). It is also concluded from this dissertation that the width of localization zone (shear band) exhibits tremendous changes with different initial temperatures (i.e., different initial viscosities and accordingly different length scales).

Enhancing the nonlinear thermoelectric response of a correlated quantum dot in the Kondo regime by asymmetrical coupling to the leads

NASA Astrophysics Data System (ADS)

Pérez Daroca, Diego; Roura-Bas, Pablo; Aligia, Armando A.

2018-04-01

We study the low-temperature properties of the differential response of the current to a temperature gradient at finite voltage in a single-level quantum dot including electron-electron interaction, nonsymmetric couplings to the leads, and nonlinear effects. The calculated response is significantly enhanced in setups with large asymmetries between the tunnel couplings. In the investigated range of voltages and temperatures with corresponding energies up to several times the Kondo energy scale, the maximum response is enhanced nearly an order of magnitude with respect to symmetric coupling to the leads.

Numerical analyses of planer plasmonic focusing lens

NASA Astrophysics Data System (ADS)

Chou, Yen-Yu; Lee, Yeeu-Chang

2018-03-01

The use of polystyrene (PS) sphere lithography has been widely applied in the fabrication of micron and nano structures, due to their low cost and ease of fabrication in large scale applications. This study evaluated the feasibility of plasmonic lens base on metal thin films with nanohole structures fabricated by using PS sphere lithography through three-dimensional (3D) finite difference time domain (FDTD) method. We calculated the intensity profile of lens with various wavelength of incident light, lens size, cutting positions, diameters of nanohole, and periods of nanohole to investigate the geometric parameters influence on the focusing properties of the plasmonic lens.

Boundary formulations for sensitivity analysis without matrix derivatives

NASA Technical Reports Server (NTRS)

Kane, J. H.; Guru Prasad, K.

1993-01-01

A new hybrid approach to continuum structural shape sensitivity analysis employing boundary element analysis (BEA) is presented. The approach uses iterative reanalysis to obviate the need to factor perturbed matrices in the determination of surface displacement and traction sensitivities via a univariate perturbation/finite difference (UPFD) step. The UPFD approach makes it possible to immediately reuse existing subroutines for computation of BEA matrix coefficients in the design sensitivity analysis process. The reanalysis technique computes economical response of univariately perturbed models without factoring perturbed matrices. The approach provides substantial computational economy without the burden of a large-scale reprogramming effort.

Networked dynamical systems with linear coupling: synchronisation patterns, coherence and other behaviours.

PubMed

Judd, Kevin

2013-12-01

Many physical and biochemical systems are well modelled as a network of identical non-linear dynamical elements with linear coupling between them. An important question is how network structure affects chaotic dynamics, for example, by patterns of synchronisation and coherence. It is shown that small networks can be characterised precisely into patterns of exact synchronisation and large networks characterised by partial synchronisation at the local and global scale. Exact synchronisation modes are explained using tools of symmetry groups and invariance, and partial synchronisation is explained by finite-time shadowing of exact synchronisation modes.

Adaptive implicit-explicit and parallel element-by-element iteration schemes

NASA Technical Reports Server (NTRS)

Tezduyar, T. E.; Liou, J.; Nguyen, T.; Poole, S.

1989-01-01

Adaptive implicit-explicit (AIE) and grouped element-by-element (GEBE) iteration schemes are presented for the finite element solution of large-scale problems in computational mechanics and physics. The AIE approach is based on the dynamic arrangement of the elements into differently treated groups. The GEBE procedure, which is a way of rewriting the EBE formulation to make its parallel processing potential and implementation more clear, is based on the static arrangement of the elements into groups with no inter-element coupling within each group. Various numerical tests performed demonstrate the savings in the CPU time and memory.

Effective equations and the inverse cascade theory for Kolmogorov flows

NASA Technical Reports Server (NTRS)

Weinan, E.; Shu, Chi-Wang

1992-01-01

We study the two dimensional Kolmogorov flows in the limit as the forcing frequency goes to infinity. Direct numerical simulation indicates that the low frequency energy spectrum evolves to a universal kappa (exp -4) decay law. We derive effective equations governing the behavior of the large scale flow quantities. We then present numerical evidence that with smooth initial data, the solution to the effective equation develops a kappa (exp -4) type singularity at a finite time. This gives a convenient explanation for the kappa (exp -4) decay law exhibited by the original Kolmogorov flows.

Programming Probabilistic Structural Analysis for Parallel Processing Computer

NASA Technical Reports Server (NTRS)

Sues, Robert H.; Chen, Heh-Chyun; Twisdale, Lawrence A.; Chamis, Christos C.; Murthy, Pappu L. N.

1991-01-01

The ultimate goal of this research program is to make Probabilistic Structural Analysis (PSA) computationally efficient and hence practical for the design environment by achieving large scale parallelism. The paper identifies the multiple levels of parallelism in PSA, identifies methodologies for exploiting this parallelism, describes the development of a parallel stochastic finite element code, and presents results of two example applications. It is demonstrated that speeds within five percent of those theoretically possible can be achieved. A special-purpose numerical technique, the stochastic preconditioned conjugate gradient method, is also presented and demonstrated to be extremely efficient for certain classes of PSA problems.

A Dynamic Finite Element Method for Simulating the Physics of Faults Systems

NASA Astrophysics Data System (ADS)

Saez, E.; Mora, P.; Gross, L.; Weatherley, D.

2004-12-01

We introduce a dynamic Finite Element method using a novel high level scripting language to describe the physical equations, boundary conditions and time integration scheme. The library we use is the parallel Finley library: a finite element kernel library, designed for solving large-scale problems. It is incorporated as a differential equation solver into a more general library called escript, based on the scripting language Python. This library has been developed to facilitate the rapid development of 3D parallel codes, and is optimised for the Australian Computational Earth Systems Simulator Major National Research Facility (ACcESS MNRF) supercomputer, a 208 processor SGI Altix with a peak performance of 1.1 TFlops. Using the scripting approach we obtain a parallel FE code able to take advantage of the computational efficiency of the Altix 3700. We consider faults as material discontinuities (the displacement, velocity, and acceleration fields are discontinuous at the fault), with elastic behavior. The stress continuity at the fault is achieved naturally through the expression of the fault interactions in the weak formulation. The elasticity problem is solved explicitly in time, using the Saint Verlat scheme. Finally, we specify a suitable frictional constitutive relation and numerical scheme to simulate fault behaviour. Our model is based on previous work on modelling fault friction and multi-fault systems using lattice solid-like models. We adapt the 2D model for simulating the dynamics of parallel fault systems described to the Finite-Element method. The approach uses a frictional relation along faults that is slip and slip-rate dependent, and the numerical integration approach introduced by Mora and Place in the lattice solid model. In order to illustrate the new Finite Element model, single and multi-fault simulation examples are presented.

Energy Finite Element Analysis for Computing the High Frequency Vibration of the Aluminum Testbed Cylinder and Correlating the Results to Test Data

NASA Technical Reports Server (NTRS)

Vlahopoulos, Nickolas

2005-01-01

The Energy Finite Element Analysis (EFEA) is a finite element based computational method for high frequency vibration and acoustic analysis. The EFEA solves with finite elements governing differential equations for energy variables. These equations are developed from wave equations. Recently, an EFEA method for computing high frequency vibration of structures either in vacuum or in contact with a dense fluid has been presented. The presence of fluid loading has been considered through added mass and radiation damping. The EFEA developments were validated by comparing EFEA results to solutions obtained by very dense conventional finite element models and solutions from classical techniques such as statistical energy analysis (SEA) and the modal decomposition method for bodies of revolution. EFEA results have also been compared favorably with test data for the vibration and the radiated noise generated by a large scale submersible vehicle. The primary variable in EFEA is defined as the time averaged over a period and space averaged over a wavelength energy density. A joint matrix computed from the power transmission coefficients is utilized for coupling the energy density variables across any discontinuities, such as change of plate thickness, plate/stiffener junctions etc. When considering the high frequency vibration of a periodically stiffened plate or cylinder, the flexural wavelength is smaller than the interval length between two periodic stiffeners, therefore the stiffener stiffness can not be smeared by computing an equivalent rigidity for the plate or cylinder. The periodic stiffeners must be regarded as coupling components between periodic units. In this paper, Periodic Structure (PS) theory is utilized for computing the coupling joint matrix and for accounting for the periodicity characteristics.

The Coupling of Finite Element and Integral Equation Representations for Efficient Three-Dimensional Modeling of Electromagnetic Scattering and Radiation

NASA Technical Reports Server (NTRS)

Cwik, Tom; Zuffada, Cinzia; Jamnejad, Vahraz

1996-01-01

Finite element modeling has proven useful for accurtely simulating scattered or radiated fields from complex three-dimensional objects whose geometry varies on the scale of a fraction of a wavelength.

Load Testing, Finite Element Analysis, and Design of Steel Traffic-Signal Poles

DOT National Transportation Integrated Search

1993-07-01

At request of the Structures Design and Construction Division, the Engineering Research and Development Bureau performed full-scale testing and finite element analysis (FEA) of span-wire traffic-signal poles to evaluate their structural adequacy. Res...

Finite-Difference Modeling of Seismic Wave Scattering in 3D Heterogeneous Media: Generation of Tangential Motion from an Explosion Source

NASA Astrophysics Data System (ADS)

Hirakawa, E. T.; Pitarka, A.; Mellors, R. J.

2015-12-01

Evan Hirakawa, Arben Pitarka, and Robert Mellors One challenging task in explosion seismology is development of physical models for explaining the generation of S-waves during underground explosions. Pitarka et al. (2015) used finite difference simulations of SPE-3 (part of Source Physics Experiment, SPE, an ongoing series of underground chemical explosions at the Nevada National Security Site) and found that while a large component of shear motion was generated directly at the source, additional scattering from heterogeneous velocity structure and topography are necessary to better match the data. Large-scale features in the velocity model used in the SPE simulations are well constrained, however, small-scale heterogeneity is poorly constrained. In our study we used a stochastic representation of small-scale variability in order to produce additional high-frequency scattering. Two methods for generating the distributions of random scatterers are tested. The first is done in the spatial domain by essentially smoothing a set of random numbers over an ellipsoidal volume using a Gaussian weighting function. The second method consists of filtering a set of random numbers in the wavenumber domain to obtain a set of heterogeneities with a desired statistical distribution (Frankel and Clayton, 1986). This method is capable of generating distributions with either Gaussian or von Karman autocorrelation functions. The key parameters that affect scattering are the correlation length, the standard deviation of velocity for the heterogeneities, and the Hurst exponent, which is only present in the von Karman media. Overall, we find that shorter correlation lengths as well as higher standard deviations result in increased tangential motion in the frequency band of interest (0 - 10 Hz). This occurs partially through S-wave refraction, but mostly by P-S and Rg-S waves conversions. This work was performed under the auspices of the U.S. Department of Energy by Lawrence Livermore National Laboratory under Contract DE-AC52-07NA27344

Solving large-scale dynamic systems using band Lanczos method in Rockwell NASTRAN on CRAY X-MP

NASA Technical Reports Server (NTRS)

Gupta, V. K.; Zillmer, S. D.; Allison, R. E.

1986-01-01

The improved cost effectiveness using better models, more accurate and faster algorithms and large scale computing offers more representative dynamic analyses. The band Lanczos eigen-solution method was implemented in Rockwell's version of 1984 COSMIC-released NASTRAN finite element structural analysis computer program to effectively solve for structural vibration modes including those of large complex systems exceeding 10,000 degrees of freedom. The Lanczos vectors were re-orthogonalized locally using the Lanczos Method and globally using the modified Gram-Schmidt method for sweeping rigid-body modes and previously generated modes and Lanczos vectors. The truncated band matrix was solved for vibration frequencies and mode shapes using Givens rotations. Numerical examples are included to demonstrate the cost effectiveness and accuracy of the method as implemented in ROCKWELL NASTRAN. The CRAY version is based on RPK's COSMIC/NASTRAN. The band Lanczos method was more reliable and accurate and converged faster than the single vector Lanczos Method. The band Lanczos method was comparable to the subspace iteration method which was a block version of the inverse power method. However, the subspace matrix tended to be fully populated in the case of subspace iteration and not as sparse as a band matrix.