High-order solution methods for grey discrete ordinates thermal radiative transfer

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

Maginot, Peter G.; Ragusa, Jean C.; Morel, Jim E.

This paper presents a solution methodology for solving the grey radiative transfer equations that is both spatially and temporally more accurate than the canonical radiative transfer solution technique of linear discontinuous finite element discretization in space with implicit Euler integration in time. We solve the grey radiative transfer equations by fully converging the nonlinear temperature dependence of the material specific heat, material opacities, and Planck function. The grey radiative transfer equations are discretized in space using arbitrary-order self-lumping discontinuous finite elements and integrated in time with arbitrary-order diagonally implicit Runge–Kutta time integration techniques. Iterative convergence of the radiation equation ismore » accelerated using a modified interior penalty diffusion operator to precondition the full discrete ordinates transport operator.« less

High-order solution methods for grey discrete ordinates thermal radiative transfer

DOE PAGES

Maginot, Peter G.; Ragusa, Jean C.; Morel, Jim E.

2016-09-29

This paper presents a solution methodology for solving the grey radiative transfer equations that is both spatially and temporally more accurate than the canonical radiative transfer solution technique of linear discontinuous finite element discretization in space with implicit Euler integration in time. We solve the grey radiative transfer equations by fully converging the nonlinear temperature dependence of the material specific heat, material opacities, and Planck function. The grey radiative transfer equations are discretized in space using arbitrary-order self-lumping discontinuous finite elements and integrated in time with arbitrary-order diagonally implicit Runge–Kutta time integration techniques. Iterative convergence of the radiation equation ismore » accelerated using a modified interior penalty diffusion operator to precondition the full discrete ordinates transport operator.« less

Mixed time integration methods for transient thermal analysis of structures

NASA Technical Reports Server (NTRS)

Liu, W. K.

1982-01-01

The computational methods used to predict and optimize the thermal structural behavior of aerospace vehicle structures are reviewed. In general, two classes of algorithms, implicit and explicit, are used in transient thermal analysis of structures. Each of these two methods has its own merits. Due to the different time scales of the mechanical and thermal responses, the selection of a time integration method can be a different yet critical factor in the efficient solution of such problems. Therefore mixed time integration methods for transient thermal analysis of structures are being developed. The computer implementation aspects and numerical evaluation of these mixed time implicit-explicit algorithms in thermal analysis of structures are presented. A computationally useful method of estimating the critical time step for linear quadrilateral element is also given. Numerical tests confirm the stability criterion and accuracy characteristics of the methods. The superiority of these mixed time methods to the fully implicit method or the fully explicit method is also demonstrated.

Mixed time integration methods for transient thermal analysis of structures

NASA Technical Reports Server (NTRS)

Liu, W. K.

1983-01-01

The computational methods used to predict and optimize the thermal-structural behavior of aerospace vehicle structures are reviewed. In general, two classes of algorithms, implicit and explicit, are used in transient thermal analysis of structures. Each of these two methods has its own merits. Due to the different time scales of the mechanical and thermal responses, the selection of a time integration method can be a difficult yet critical factor in the efficient solution of such problems. Therefore mixed time integration methods for transient thermal analysis of structures are being developed. The computer implementation aspects and numerical evaluation of these mixed time implicit-explicit algorithms in thermal analysis of structures are presented. A computationally-useful method of estimating the critical time step for linear quadrilateral element is also given. Numerical tests confirm the stability criterion and accuracy characteristics of the methods. The superiority of these mixed time methods to the fully implicit method or the fully explicit method is also demonstrated.

A Fast Solver for Implicit Integration of the Vlasov--Poisson System in the Eulerian Framework

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

Garrett, C. Kristopher; Hauck, Cory D.

In this paper, we present a domain decomposition algorithm to accelerate the solution of Eulerian-type discretizations of the linear, steady-state Vlasov equation. The steady-state solver then forms a key component in the implementation of fully implicit or nearly fully implicit temporal integrators for the nonlinear Vlasov--Poisson system. The solver relies on a particular decomposition of phase space that enables the use of sweeping techniques commonly used in radiation transport applications. The original linear system for the phase space unknowns is then replaced by a smaller linear system involving only unknowns on the boundary between subdomains, which can then be solvedmore » efficiently with Krylov methods such as GMRES. Steady-state solves are combined to form an implicit Runge--Kutta time integrator, and the Vlasov equation is coupled self-consistently to the Poisson equation via a linearized procedure or a nonlinear fixed-point method for the electric field. Finally, numerical results for standard test problems demonstrate the efficiency of the domain decomposition approach when compared to the direct application of an iterative solver to the original linear system.« less

A Fast Solver for Implicit Integration of the Vlasov--Poisson System in the Eulerian Framework

DOE PAGES

Garrett, C. Kristopher; Hauck, Cory D.

2018-04-05

In this paper, we present a domain decomposition algorithm to accelerate the solution of Eulerian-type discretizations of the linear, steady-state Vlasov equation. The steady-state solver then forms a key component in the implementation of fully implicit or nearly fully implicit temporal integrators for the nonlinear Vlasov--Poisson system. The solver relies on a particular decomposition of phase space that enables the use of sweeping techniques commonly used in radiation transport applications. The original linear system for the phase space unknowns is then replaced by a smaller linear system involving only unknowns on the boundary between subdomains, which can then be solvedmore » efficiently with Krylov methods such as GMRES. Steady-state solves are combined to form an implicit Runge--Kutta time integrator, and the Vlasov equation is coupled self-consistently to the Poisson equation via a linearized procedure or a nonlinear fixed-point method for the electric field. Finally, numerical results for standard test problems demonstrate the efficiency of the domain decomposition approach when compared to the direct application of an iterative solver to the original linear system.« less

An Inviscid Decoupled Method for the Roe FDS Scheme in the Reacting Gas Path of FUN3D

NASA Technical Reports Server (NTRS)

Thompson, Kyle B.; Gnoffo, Peter A.

2016-01-01

An approach is described to decouple the species continuity equations from the mixture continuity, momentum, and total energy equations for the Roe flux difference splitting scheme. This decoupling simplifies the implicit system, so that the flow solver can be made significantly more efficient, with very little penalty on overall scheme robustness. Most importantly, the computational cost of the point implicit relaxation is shown to scale linearly with the number of species for the decoupled system, whereas the fully coupled approach scales quadratically. Also, the decoupled method significantly reduces the cost in wall time and memory in comparison to the fully coupled approach. This work lays the foundation for development of an efficient adjoint solution procedure for high speed reacting flow.

On the convergence of a fully discrete scheme of LES type to physically relevant solutions of the incompressible Navier-Stokes

NASA Astrophysics Data System (ADS)

Berselli, Luigi C.; Spirito, Stefano

2018-06-01

Obtaining reliable numerical simulations of turbulent fluids is a challenging problem in computational fluid mechanics. The large eddy simulation (LES) models are efficient tools to approximate turbulent fluids, and an important step in the validation of these models is the ability to reproduce relevant properties of the flow. In this paper, we consider a fully discrete approximation of the Navier-Stokes-Voigt model by an implicit Euler algorithm (with respect to the time variable) and a Fourier-Galerkin method (in the space variables). We prove the convergence to weak solutions of the incompressible Navier-Stokes equations satisfying the natural local entropy condition, hence selecting the so-called physically relevant solutions.

A compatible high-order meshless method for the Stokes equations with applications to suspension flows

NASA Astrophysics Data System (ADS)

Trask, Nathaniel; Maxey, Martin; Hu, Xiaozhe

2018-02-01

A stable numerical solution of the steady Stokes problem requires compatibility between the choice of velocity and pressure approximation that has traditionally proven problematic for meshless methods. In this work, we present a discretization that couples a staggered scheme for pressure approximation with a divergence-free velocity reconstruction to obtain an adaptive, high-order, finite difference-like discretization that can be efficiently solved with conventional algebraic multigrid techniques. We use analytic benchmarks to demonstrate equal-order convergence for both velocity and pressure when solving problems with curvilinear geometries. In order to study problems in dense suspensions, we couple the solution for the flow to the equations of motion for freely suspended particles in an implicit monolithic scheme. The combination of high-order accuracy with fully-implicit schemes allows the accurate resolution of stiff lubrication forces directly from the solution of the Stokes problem without the need to introduce sub-grid lubrication models.

An in-depth stability analysis of nonuniform FDTD combined with novel local implicitization techniques

NASA Astrophysics Data System (ADS)

Van Londersele, Arne; De Zutter, Daniël; Vande Ginste, Dries

2017-08-01

This work focuses on efficient full-wave solutions of multiscale electromagnetic problems in the time domain. Three local implicitization techniques are proposed and carefully analyzed in order to relax the traditional time step limit of the Finite-Difference Time-Domain (FDTD) method on a nonuniform, staggered, tensor product grid: Newmark, Crank-Nicolson (CN) and Alternating-Direction-Implicit (ADI) implicitization. All of them are applied in preferable directions, alike Hybrid Implicit-Explicit (HIE) methods, as to limit the rank of the sparse linear systems. Both exponential and linear stability are rigorously investigated for arbitrary grid spacings and arbitrary inhomogeneous, possibly lossy, isotropic media. Numerical examples confirm the conservation of energy inside a cavity for a million iterations if the time step is chosen below the proposed, relaxed limit. Apart from the theoretical contributions, new accomplishments such as the development of the leapfrog Alternating-Direction-Hybrid-Implicit-Explicit (ADHIE) FDTD method and a less stringent Courant-like time step limit for the conventional, fully explicit FDTD method on a nonuniform grid, have immediate practical applications.

An implicit finite-difference solution to the viscous shock layer, including the effects of radiation and strong blowing

NASA Technical Reports Server (NTRS)

Garrett, L. B.; Smith, G. L.; Perkins, J. N.

1972-01-01

An implicit finite-difference scheme is developed for the fully coupled solution of the viscous, radiating stagnation-streamline equations, including strong blowing. Solutions are presented for both air injection and injection of carbon-phenolic ablation products into air at conditions near the peak radiative heating point in an earth entry trajectory from interplanetary return missions. A detailed radiative-transport code that accounts for the important radiative exchange processes for gaseous mixtures in local thermodynamic and chemical equilibrium is utilized in the study. With minimum number of assumptions for the initially unknown parameters and profile distributions, convergent solutions to the full stagnation-line equations are rapidly obtained by a method of successive approximations. Damping of selected profiles is required to aid convergence of the solutions for massive blowing. It is shown that certain finite-difference approximations to the governing differential equations stabilize and improve the solutions. Detailed comparisons are made with the numerical results of previous investigations. Results of the present study indicate lower radiative heat fluxes at the wall for carbonphenolic ablation than previously predicted.

Connecting Free Energy Surfaces in Implicit and Explicit Solvent: an Efficient Method to Compute Conformational and Solvation Free Energies

PubMed Central

Deng, Nanjie; Zhang, Bin W.; Levy, Ronald M.

2015-01-01

The ability to accurately model solvent effects on free energy surfaces is important for understanding many biophysical processes including protein folding and misfolding, allosteric transitions and protein-ligand binding. Although all-atom simulations in explicit solvent can provide an accurate model for biomolecules in solution, explicit solvent simulations are hampered by the slow equilibration on rugged landscapes containing multiple basins separated by barriers. In many cases, implicit solvent models can be used to significantly speed up the conformational sampling; however, implicit solvent simulations do not fully capture the effects of a molecular solvent, and this can lead to loss of accuracy in the estimated free energies. Here we introduce a new approach to compute free energy changes in which the molecular details of explicit solvent simulations are retained while also taking advantage of the speed of the implicit solvent simulations. In this approach, the slow equilibration in explicit solvent, due to the long waiting times before barrier crossing, is avoided by using a thermodynamic cycle which connects the free energy basins in implicit solvent and explicit solvent using a localized decoupling scheme. We test this method by computing conformational free energy differences and solvation free energies of the model system alanine dipeptide in water. The free energy changes between basins in explicit solvent calculated using fully explicit solvent paths agree with the corresponding free energy differences obtained using the implicit/explicit thermodynamic cycle to within 0.3 kcal/mol out of ~3 kcal/mol at only ~8 % of the computational cost. We note that WHAM methods can be used to further improve the efficiency and accuracy of the explicit/implicit thermodynamic cycle. PMID:26236174

Connecting free energy surfaces in implicit and explicit solvent: an efficient method to compute conformational and solvation free energies.

PubMed

Deng, Nanjie; Zhang, Bin W; Levy, Ronald M

2015-06-09

The ability to accurately model solvent effects on free energy surfaces is important for understanding many biophysical processes including protein folding and misfolding, allosteric transitions, and protein–ligand binding. Although all-atom simulations in explicit solvent can provide an accurate model for biomolecules in solution, explicit solvent simulations are hampered by the slow equilibration on rugged landscapes containing multiple basins separated by barriers. In many cases, implicit solvent models can be used to significantly speed up the conformational sampling; however, implicit solvent simulations do not fully capture the effects of a molecular solvent, and this can lead to loss of accuracy in the estimated free energies. Here we introduce a new approach to compute free energy changes in which the molecular details of explicit solvent simulations are retained while also taking advantage of the speed of the implicit solvent simulations. In this approach, the slow equilibration in explicit solvent, due to the long waiting times before barrier crossing, is avoided by using a thermodynamic cycle which connects the free energy basins in implicit solvent and explicit solvent using a localized decoupling scheme. We test this method by computing conformational free energy differences and solvation free energies of the model system alanine dipeptide in water. The free energy changes between basins in explicit solvent calculated using fully explicit solvent paths agree with the corresponding free energy differences obtained using the implicit/explicit thermodynamic cycle to within 0.3 kcal/mol out of ∼3 kcal/mol at only ∼8% of the computational cost. We note that WHAM methods can be used to further improve the efficiency and accuracy of the implicit/explicit thermodynamic cycle.

Vectorization on the star computer of several numerical methods for a fluid flow problem

NASA Technical Reports Server (NTRS)

Lambiotte, J. J., Jr.; Howser, L. M.

1974-01-01

A reexamination of some numerical methods is considered in light of the new class of computers which use vector streaming to achieve high computation rates. A study has been made of the effect on the relative efficiency of several numerical methods applied to a particular fluid flow problem when they are implemented on a vector computer. The method of Brailovskaya, the alternating direction implicit method, a fully implicit method, and a new method called partial implicitization have been applied to the problem of determining the steady state solution of the two-dimensional flow of a viscous imcompressible fluid in a square cavity driven by a sliding wall. Results are obtained for three mesh sizes and a comparison is made of the methods for serial computation.

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

Bolding, Simon R.; Cleveland, Mathew Allen; Morel, Jim E.

In this paper, we have implemented a new high-order low-order (HOLO) algorithm for solving thermal radiative transfer problems. The low-order (LO) system is based on the spatial and angular moments of the transport equation and a linear-discontinuous finite-element spatial representation, producing equations similar to the standard S 2 equations. The LO solver is fully implicit in time and efficiently resolves the nonlinear temperature dependence at each time step. The high-order (HO) solver utilizes exponentially convergent Monte Carlo (ECMC) to give a globally accurate solution for the angular intensity to a fixed-source pure-absorber transport problem. This global solution is used tomore » compute consistency terms, which require the HO and LO solutions to converge toward the same solution. The use of ECMC allows for the efficient reduction of statistical noise in the Monte Carlo solution, reducing inaccuracies introduced through the LO consistency terms. Finally, we compare results with an implicit Monte Carlo code for one-dimensional gray test problems and demonstrate the efficiency of ECMC over standard Monte Carlo in this HOLO algorithm.« less

A High-Order Low-Order Algorithm with Exponentially Convergent Monte Carlo for Thermal Radiative Transfer

DOE PAGES

Bolding, Simon R.; Cleveland, Mathew Allen; Morel, Jim E.

2016-10-21

In this paper, we have implemented a new high-order low-order (HOLO) algorithm for solving thermal radiative transfer problems. The low-order (LO) system is based on the spatial and angular moments of the transport equation and a linear-discontinuous finite-element spatial representation, producing equations similar to the standard S 2 equations. The LO solver is fully implicit in time and efficiently resolves the nonlinear temperature dependence at each time step. The high-order (HO) solver utilizes exponentially convergent Monte Carlo (ECMC) to give a globally accurate solution for the angular intensity to a fixed-source pure-absorber transport problem. This global solution is used tomore » compute consistency terms, which require the HO and LO solutions to converge toward the same solution. The use of ECMC allows for the efficient reduction of statistical noise in the Monte Carlo solution, reducing inaccuracies introduced through the LO consistency terms. Finally, we compare results with an implicit Monte Carlo code for one-dimensional gray test problems and demonstrate the efficiency of ECMC over standard Monte Carlo in this HOLO algorithm.« less

Investigation of the required length for fully developed pipe flow with drag-reducing polymer solutions

NASA Astrophysics Data System (ADS)

Farsiani, Yasaman; Elbing, Brian

2015-11-01

Adding trace amounts of long chain polymers into a liquid flow is known to reduce skin friction drag by up to 80%. While polymer drag reduction (PDR) has been successfully implemented in internal flows, diffusion and degradation have limited its external flow applications. A weakness in many previous PDR studies is that there was no characterization of the polymer being injected into the turbulent boundary layer, which can be accomplished by testing a sample in a pressure-drop tube. An implicit assumption in polymer characterization is that the flow is fully developed at the differential pressure measurement. While available data in the literature shows that the entry length to achieve fully developed flow increases with polymeric solutions, it is unclear how long is required to achieve fully developed flow for non-Newtonian turbulent flows. In the present study, the pressure-drop is measured across a 1.05 meter length section of a 1.04 cm inner diameter pipe. Differential pressure is measured with a pressure transducer for different entry lengths, flow and polymer solution properties. This presentation will present preliminary data on the required entrance length as well as characterization of polymer solution an estimate of the mean molecular weight.

A mass, momentum, and energy conserving, fully implicit, scalable algorithm for the multi-dimensional, multi-species Rosenbluth-Fokker-Planck equation

NASA Astrophysics Data System (ADS)

Taitano, W. T.; Chacón, L.; Simakov, A. N.; Molvig, K.

2015-09-01

In this study, we demonstrate a fully implicit algorithm for the multi-species, multidimensional Rosenbluth-Fokker-Planck equation which is exactly mass-, momentum-, and energy-conserving, and which preserves positivity. Unlike most earlier studies, we base our development on the Rosenbluth (rather than Landau) form of the Fokker-Planck collision operator, which reduces complexity while allowing for an optimal fully implicit treatment. Our discrete conservation strategy employs nonlinear constraints that force the continuum symmetries of the collision operator to be satisfied upon discretization. We converge the resulting nonlinear system iteratively using Jacobian-free Newton-Krylov methods, effectively preconditioned with multigrid methods for efficiency. Single- and multi-species numerical examples demonstrate the advertised accuracy properties of the scheme, and the superior algorithmic performance of our approach. In particular, the discretization approach is numerically shown to be second-order accurate in time and velocity space and to exhibit manifestly positive entropy production. That is, H-theorem behavior is indicated for all the examples we have tested. The solution approach is demonstrated to scale optimally with respect to grid refinement (with CPU time growing linearly with the number of mesh points), and timestep (showing very weak dependence of CPU time with time-step size). As a result, the proposed algorithm delivers several orders-of-magnitude speedup vs. explicit algorithms.

Stability analysis of implicit time discretizations for the Compton-scattering Fokker-Planck equation

NASA Astrophysics Data System (ADS)

Densmore, Jeffery D.; Warsa, James S.; Lowrie, Robert B.; Morel, Jim E.

2009-09-01

The Fokker-Planck equation is a widely used approximation for modeling the Compton scattering of photons in high energy density applications. In this paper, we perform a stability analysis of three implicit time discretizations for the Compton-Scattering Fokker-Planck equation. Specifically, we examine (i) a Semi-Implicit (SI) scheme that employs backward-Euler differencing but evaluates temperature-dependent coefficients at their beginning-of-time-step values, (ii) a Fully Implicit (FI) discretization that instead evaluates temperature-dependent coefficients at their end-of-time-step values, and (iii) a Linearized Implicit (LI) scheme, which is developed by linearizing the temperature dependence of the FI discretization within each time step. Our stability analysis shows that the FI and LI schemes are unconditionally stable and cannot generate oscillatory solutions regardless of time-step size, whereas the SI discretization can suffer from instabilities and nonphysical oscillations for sufficiently large time steps. With the results of this analysis, we present time-step limits for the SI scheme that prevent undesirable behavior. We test the validity of our stability analysis and time-step limits with a set of numerical examples.

Temperature-Dependent Implicit-Solvent Model of Polyethylene Glycol in Aqueous Solution.

PubMed

Chudoba, Richard; Heyda, Jan; Dzubiella, Joachim

2017-12-12

A temperature (T)-dependent coarse-grained (CG) Hamiltonian of polyethylene glycol/oxide (PEG/PEO) in aqueous solution is reported to be used in implicit-solvent material models in a wide temperature (i.e., solvent quality) range. The T-dependent nonbonded CG interactions are derived from a combined "bottom-up" and "top-down" approach. The pair potentials calculated from atomistic replica-exchange molecular dynamics simulations in combination with the iterative Boltzmann inversion are postrefined by benchmarking to experimental data of the radius of gyration. For better handling and a fully continuous transferability in T-space, the pair potentials are conveniently truncated and mapped to an analytic formula with three structural parameters expressed as explicit continuous functions of T. It is then demonstrated that this model without further adjustments successfully reproduces other experimentally known key thermodynamic properties of semidilute PEG solutions such as the full equation of state (i.e., T-dependent osmotic pressure) for various chain lengths as well as their cloud point (or collapse) temperature.

Reactive Transport Modeling of Induced Calcite Precipitation Reaction Fronts in Porous Media Using A Parallel, Fully Coupled, Fully Implicit Approach

NASA Astrophysics Data System (ADS)

Guo, L.; Huang, H.; Gaston, D.; Redden, G. D.; Fox, D. T.; Fujita, Y.

2010-12-01

Inducing mineral precipitation in the subsurface is one potential strategy for immobilizing trace metal and radionuclide contaminants. Generating mineral precipitates in situ can be achieved by manipulating chemical conditions, typically through injection or in situ generation of reactants. How these reactants transport, mix and react within the medium controls the spatial distribution and composition of the resulting mineral phases. Multiple processes, including fluid flow, dispersive/diffusive transport of reactants, biogeochemical reactions and changes in porosity-permeability, are tightly coupled over a number of scales. Numerical modeling can be used to investigate the nonlinear coupling effects of these processes which are quite challenging to explore experimentally. Many subsurface reactive transport simulators employ a de-coupled or operator-splitting approach where transport equations and batch chemistry reactions are solved sequentially. However, such an approach has limited applicability for biogeochemical systems with fast kinetics and strong coupling between chemical reactions and medium properties. A massively parallel, fully coupled, fully implicit Reactive Transport simulator (referred to as “RAT”) based on a parallel multi-physics object-oriented simulation framework (MOOSE) has been developed at the Idaho National Laboratory. Within this simulator, systems of transport and reaction equations can be solved simultaneously in a fully coupled, fully implicit manner using the Jacobian Free Newton-Krylov (JFNK) method with additional advanced computing capabilities such as (1) physics-based preconditioning for solution convergence acceleration, (2) massively parallel computing and scalability, and (3) adaptive mesh refinements for 2D and 3D structured and unstructured mesh. The simulator was first tested against analytical solutions, then applied to simulating induced calcium carbonate mineral precipitation in 1D columns and 2D flow cells as analogs to homogeneous and heterogeneous porous media, respectively. In 1D columns, calcium carbonate mineral precipitation was driven by urea hydrolysis catalyzed by urease enzyme, and in 2D flow cells, calcium carbonate mineral forming reactants were injected sequentially, forming migrating reaction fronts that are typically highly nonuniform. The RAT simulation results for the spatial and temporal distributions of precipitates, reaction rates and major species in the system, and also for changes in porosity and permeability, were compared to both laboratory experimental data and computational results obtained using other reactive transport simulators. The comparisons demonstrate the ability of RAT to simulate complex nonlinear systems and the advantages of fully coupled approaches, over de-coupled methods, for accurate simulation of complex, dynamic processes such as engineered mineral precipitation in subsurface environments.

Constraint treatment techniques and parallel algorithms for multibody dynamic analysis. Ph.D. Thesis

NASA Technical Reports Server (NTRS)

Chiou, Jin-Chern

1990-01-01

Computational procedures for kinematic and dynamic analysis of three-dimensional multibody dynamic (MBD) systems are developed from the differential-algebraic equations (DAE's) viewpoint. Constraint violations during the time integration process are minimized and penalty constraint stabilization techniques and partitioning schemes are developed. The governing equations of motion, a two-stage staggered explicit-implicit numerical algorithm, are treated which takes advantage of a partitioned solution procedure. A robust and parallelizable integration algorithm is developed. This algorithm uses a two-stage staggered central difference algorithm to integrate the translational coordinates and the angular velocities. The angular orientations of bodies in MBD systems are then obtained by using an implicit algorithm via the kinematic relationship between Euler parameters and angular velocities. It is shown that the combination of the present solution procedures yields a computationally more accurate solution. To speed up the computational procedures, parallel implementation of the present constraint treatment techniques, the two-stage staggered explicit-implicit numerical algorithm was efficiently carried out. The DAE's and the constraint treatment techniques were transformed into arrowhead matrices to which Schur complement form was derived. By fully exploiting the sparse matrix structural analysis techniques, a parallel preconditioned conjugate gradient numerical algorithm is used to solve the systems equations written in Schur complement form. A software testbed was designed and implemented in both sequential and parallel computers. This testbed was used to demonstrate the robustness and efficiency of the constraint treatment techniques, the accuracy of the two-stage staggered explicit-implicit numerical algorithm, and the speed up of the Schur-complement-based parallel preconditioned conjugate gradient algorithm on a parallel computer.

A Semi-implicit Treatment of Porous Media in Steady-State CFD.

PubMed

Domaingo, Andreas; Langmayr, Daniel; Somogyi, Bence; Almbauer, Raimund

There are many situations in computational fluid dynamics which require the definition of source terms in the Navier-Stokes equations. These source terms not only allow to model the physics of interest but also have a strong impact on the reliability, stability, and convergence of the numerics involved. Therefore, sophisticated numerical approaches exist for the description of such source terms. In this paper, we focus on the source terms present in the Navier-Stokes or Euler equations due to porous media-in particular the Darcy-Forchheimer equation. We introduce a method for the numerical treatment of the source term which is independent of the spatial discretization and based on linearization. In this description, the source term is treated in a fully implicit way whereas the other flow variables can be computed in an implicit or explicit manner. This leads to a more robust description in comparison with a fully explicit approach. The method is well suited to be combined with coarse-grid-CFD on Cartesian grids, which makes it especially favorable for accelerated solution of coupled 1D-3D problems. To demonstrate the applicability and robustness of the proposed method, a proof-of-concept example in 1D, as well as more complex examples in 2D and 3D, is presented.

Parallel Cartesian grid refinement for 3D complex flow simulations

NASA Astrophysics Data System (ADS)

Angelidis, Dionysios; Sotiropoulos, Fotis

2013-11-01

A second order accurate method for discretizing the Navier-Stokes equations on 3D unstructured Cartesian grids is presented. Although the grid generator is based on the oct-tree hierarchical method, fully unstructured data-structure is adopted enabling robust calculations for incompressible flows, avoiding both the need of synchronization of the solution between different levels of refinement and usage of prolongation/restriction operators. The current solver implements a hybrid staggered/non-staggered grid layout, employing the implicit fractional step method to satisfy the continuity equation. The pressure-Poisson equation is discretized by using a novel second order fully implicit scheme for unstructured Cartesian grids and solved using an efficient Krylov subspace solver. The momentum equation is also discretized with second order accuracy and the high performance Newton-Krylov method is used for integrating them in time. Neumann and Dirichlet conditions are used to validate the Poisson solver against analytical functions and grid refinement results to a significant reduction of the solution error. The effectiveness of the fractional step method results in the stability of the overall algorithm and enables the performance of accurate multi-resolution real life simulations. This material is based upon work supported by the Department of Energy under Award Number DE-EE0005482.

Hybrid upwind discretization of nonlinear two-phase flow with gravity

NASA Astrophysics Data System (ADS)

Lee, S. H.; Efendiev, Y.; Tchelepi, H. A.

2015-08-01

Multiphase flow in porous media is described by coupled nonlinear mass conservation laws. For immiscible Darcy flow of multiple fluid phases, whereby capillary effects are negligible, the transport equations in the presence of viscous and buoyancy forces are highly nonlinear and hyperbolic. Numerical simulation of multiphase flow processes in heterogeneous formations requires the development of discretization and solution schemes that are able to handle the complex nonlinear dynamics, especially of the saturation evolution, in a reliable and computationally efficient manner. In reservoir simulation practice, single-point upwinding of the flux across an interface between two control volumes (cells) is performed for each fluid phase, whereby the upstream direction is based on the gradient of the phase-potential (pressure plus gravity head). This upwinding scheme, which we refer to as Phase-Potential Upwinding (PPU), is combined with implicit (backward-Euler) time discretization to obtain a Fully Implicit Method (FIM). Even though FIM suffers from numerical dispersion effects, it is widely used in practice. This is because of its unconditional stability and because it yields conservative, monotone numerical solutions. However, FIM is not unconditionally convergent. The convergence difficulties are particularly pronounced when the different immiscible fluid phases switch between co-current and counter-current states as a function of time, or (Newton) iteration. Whether the multiphase flow across an interface (between two control-volumes) is co-current, or counter-current, depends on the local balance between the viscous and buoyancy forces, and how the balance evolves in time. The sensitivity of PPU to small changes in the (local) pressure distribution exacerbates the problem. The common strategy to deal with these difficulties is to cut the timestep and try again. Here, we propose a Hybrid-Upwinding (HU) scheme for the phase fluxes, then HU is combined with implicit time discretization to yield a fully implicit method. In the HU scheme, the phase flux is divided into two parts based on the driving force. The viscous-driven and buoyancy-driven phase fluxes are upwinded differently. Specifically, the viscous flux, which is always co-current, is upwinded based on the direction of the total-velocity. The buoyancy-driven flux across an interface is always counter-current and is upwinded such that the heavier fluid goes downward and the lighter fluid goes upward. We analyze the properties of the Implicit Hybrid Upwinding (IHU) scheme. It is shown that IHU is locally conservative and produces monotone, physically-consistent numerical solutions. The IHU solutions show numerical diffusion levels that are slightly higher than those for standard FIM (i.e., implicit PPU). The primary advantage of the IHU scheme is that the numerical overall-flux of a fluid phase remains continuous and differentiable as the flow regime changes between co-current and counter-current conditions. This is in contrast to the standard phase-potential upwinding scheme, in which the overall fractional-flow (flux) function is non-differentiable across the boundary between co-current and counter-current flows.

Fully implicit moving mesh adaptive algorithm

NASA Astrophysics Data System (ADS)

Chacon, Luis

2005-10-01

In many problems of interest, the numerical modeler is faced with the challenge of dealing with multiple time and length scales. The former is best dealt with with fully implicit methods, which are able to step over fast frequencies to resolve the dynamical time scale of interest. The latter requires grid adaptivity for efficiency. Moving-mesh grid adaptive methods are attractive because they can be designed to minimize the numerical error for a given resolution. However, the required grid governing equations are typically very nonlinear and stiff, and of considerably difficult numerical treatment. Not surprisingly, fully coupled, implicit approaches where the grid and the physics equations are solved simultaneously are rare in the literature, and circumscribed to 1D geometries. In this study, we present a fully implicit algorithm for moving mesh methods that is feasible for multidimensional geometries. A crucial element is the development of an effective multilevel treatment of the grid equation.ootnotetextL. Chac'on, G. Lapenta, A fully implicit, nonlinear adaptive grid strategy, J. Comput. Phys., accepted (2005) We will show that such an approach is competitive vs. uniform grids both from the accuracy (due to adaptivity) and the efficiency standpoints. Results for a variety of models 1D and 2D geometries, including nonlinear diffusion, radiation-diffusion, Burgers equation, and gas dynamics will be presented.

Background-Error Correlation Model Based on the Implicit Solution of a Diffusion Equation

DTIC Science & Technology

2010-01-01

1 Background- Error Correlation Model Based on the Implicit Solution of a Diffusion Equation Matthew J. Carrier* and Hans Ngodock...4. TITLE AND SUBTITLE Background- Error Correlation Model Based on the Implicit Solution of a Diffusion Equation 5a. CONTRACT NUMBER 5b. GRANT...2001), which sought to model error correlations based on the explicit solution of a generalized diffusion equation. The implicit solution is

Fokker-Planck Equations of Stochastic Acceleration: A Study of Numerical Methods

NASA Astrophysics Data System (ADS)

Park, Brian T.; Petrosian, Vahe

1996-03-01

Stochastic wave-particle acceleration may be responsible for producing suprathermal particles in many astrophysical situations. The process can be described as a diffusion process through the Fokker-Planck equation. If the acceleration region is homogeneous and the scattering mean free path is much smaller than both the energy change mean free path and the size of the acceleration region, then the Fokker-Planck equation reduces to a simple form involving only the time and energy variables. in an earlier paper (Park & Petrosian 1995, hereafter Paper 1), we studied the analytic properties of the Fokker-Planck equation and found analytic solutions for some simple cases. In this paper, we study the numerical methods which must be used to solve more general forms of the equation. Two classes of numerical methods are finite difference methods and Monte Carlo simulations. We examine six finite difference methods, three fully implicit and three semi-implicit, and a stochastic simulation method which uses the exact correspondence between the Fokker-Planck equation and the it5 stochastic differential equation. As discussed in Paper I, Fokker-Planck equations derived under the above approximations are singular, causing problems with boundary conditions and numerical overflow and underflow. We evaluate each method using three sample equations to test its stability, accuracy, efficiency, and robustness for both time-dependent and steady state solutions. We conclude that the most robust finite difference method is the fully implicit Chang-Cooper method, with minor extensions to account for the escape and injection terms. Other methods suffer from stability and accuracy problems when dealing with some Fokker-Planck equations. The stochastic simulation method, although simple to implement, is susceptible to Poisson noise when insufficient test particles are used and is computationally very expensive compared to the finite difference method.

Implicit solution of Navier-Stokes equations on staggered curvilinear grids using a Newton-Krylov method with a novel analytical Jacobian.

NASA Astrophysics Data System (ADS)

Borazjani, Iman; Asgharzadeh, Hafez

2015-11-01

Flow simulations involving complex geometries and moving boundaries suffer from time-step size restriction and low convergence rates with explicit and semi-implicit schemes. Implicit schemes can be used to overcome these restrictions. However, implementing implicit solver for nonlinear equations including Navier-Stokes is not straightforward. Newton-Krylov subspace methods (NKMs) are one of the most advanced iterative methods to solve non-linear equations such as implicit descritization of the Navier-Stokes equation. The efficiency of NKMs massively depends on the Jacobian formation method, e.g., automatic differentiation is very expensive, and matrix-free methods slow down as the mesh is refined. Analytical Jacobian is inexpensive method, but derivation of analytical Jacobian for Navier-Stokes equation on staggered grid is challenging. The NKM with a novel analytical Jacobian was developed and validated against Taylor-Green vortex and pulsatile flow in a 90 degree bend. The developed method successfully handled the complex geometries such as an intracranial aneurysm with multiple overset grids, and immersed boundaries. It is shown that the NKM with an analytical Jacobian is 3 to 25 times faster than the fixed-point implicit Runge-Kutta method, and more than 100 times faster than automatic differentiation depending on the grid (size) and the flow problem. The developed methods are fully parallelized with parallel efficiency of 80-90% on the problems tested.

The NCOREL computer program for 3D nonlinear supersonic potential flow computations

NASA Technical Reports Server (NTRS)

Siclari, M. J.

1983-01-01

An innovative computational technique (NCOREL) was established for the treatment of three dimensional supersonic flows. The method is nonlinear in that it solves the nonconservative finite difference analog of the full potential equation and can predict the formation of supercritical cross flow regions, embedded and bow shocks. The method implicitly computes a conical flow at the apex (R = 0) of a spherical coordinate system and uses a fully implicit marching technique to obtain three dimensional cross flow solutions. This implies that the radial Mach number must remain supersonic. The cross flow solutions are obtained by using type dependent transonic relaxation techniques with the type dependency linked to the character of the cross flow velocity (i.e., subsonic/supersonic). The spherical coordinate system and marching on spherical surfaces is ideally suited to the computation of wing flows at low supersonic Mach numbers due to the elimination of the subsonic axial Mach number problems that exist in other marching codes that utilize Cartesian transverse marching planes.

User`s guide for UTCHEM implicit (1.0) a three dimensional chemical flood simulator. Final report, September 30, 1992--December 31, 1995

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

NONE

1996-07-01

UTCHEM IMPLICIT is a three-dimensional chemical flooding simulator. The solution scheme is fully implicit. The pressure equation and the mass conservation equations are solved simultaneously for the aqueous phase pressure and the total concentrations of each component. A third-order-in-space, second-order-in-time finite-difference method and a new total-variation-diminishing (TVD) third-order flux limiter are used to reduce numerical dispersion effects. Saturations and phase concentrations are solved in a flash routine. The major physical phenomena modeled in the simulator are: dispersion, adsorption, aqueous-oleic-microemulsion phase behavior, interfacial tension, relative permeability, capillary trapping, compositional phase viscosity, capillary pressure, phase density, polymer properties: shear thinning viscosity, inaccessiblemore » pore volume, permeability reduction, and adsorption. The following options are available in the simulator: constant or variable time-step sizes, uniform or nonuniform grid, pressure or rate constrained wells, horizontal and vertical wells.« less

Fully kinetic 3D simulations of the Hermean magnetosphere under realistic conditions: a new approach

NASA Astrophysics Data System (ADS)

Amaya, Jorge; Gonzalez-Herrero, Diego; Lembège, Bertrand; Lapenta, Giovanni

2017-04-01

Simulations of the magnetosphere of planets are usually performed using the MHD and the hybrid approaches. However, these two methods still rely on approximations for the computation of the pressure tensor, and require the neutrality of the plasma at every point of the domain by construction. These approximations undermine the role of electrons on the emergence of plasma features in the magnetosphere of planets. The high mobility of electrons, their characteristic time and space scales, and the lack of perfect neutrality, are the source of many observed phenomena in the magnetospheres, including the turbulence energy cascade, the magnetic reconnection, the particle acceleration in the shock front and the formation of current systems around the magnetosphere. Fully kinetic codes are extremely demanding of computing time, and have been unable to perform simulations of the full magnetosphere at the real scales of a planet with realistic plasma conditions. This is caused by two main reasons: 1) explicit codes must resolve the electron scales limiting the time and space discretisation, and 2) current versions of semi-implicit codes are unstable for cell sizes larger than a few Debye lengths. In this work we present new simulations performed with ECsim, an Energy Conserving semi-implicit method [1], that can overcome these two barriers. We compare the solutions obtained with ECsim with the solutions obtained by the classic semi-implicit code iPic3D [2]. The new simulations with ECsim demand a larger computational effort, but the time and space discretisations are larger than those in iPic3D allowing for a faster simulation time of the full planetary environment. The new code, ECsim, can reach a resolution allowing the capture of significant large scale physics without loosing kinetic electron information, such as wave-electron interaction and non-Maxwellian electron velocity distributions [3]. The code is able to better capture the thickness of the different boundary layers of the magnetosphere of Mercury. Electron kinetics are consistent with the spatial and temporal scale resolutions. Simulations are compared with measurements from the MESSENGER spacecraft showing a better fit when compared against the classic fully kinetic code iPic3D. These results show that the new generation of Energy Conserving semi-implicit codes can be used for an accurate analysis and interpretation of particle data from magnetospheric missions like BepiColombo and MMS, including electron velocity distributions and electron temperature anisotropies. [1] Lapenta, G. (2016). Exactly Energy Conserving Implicit Moment Particle in Cell Formulation. arXiv preprint arXiv:1602.06326. [2] Markidis, S., & Lapenta, G. (2010). Multi-scale simulations of plasma with iPIC3D. Mathematics and Computers in Simulation, 80(7), 1509-1519. [3] Lapenta, G., Gonzalez-Herrero, D., & Boella, E. (2016). Multiple scale kinetic simulations with the energy conserving semi implicit particle in cell (PIC) method. arXiv preprint arXiv:1612.08289.

A fully implicit finite element method for bidomain models of cardiac electromechanics

PubMed Central

Dal, Hüsnü; Göktepe, Serdar; Kaliske, Michael; Kuhl, Ellen

2012-01-01

We propose a novel, monolithic, and unconditionally stable finite element algorithm for the bidomain-based approach to cardiac electromechanics. We introduce the transmembrane potential, the extracellular potential, and the displacement field as independent variables, and extend the common two-field bidomain formulation of electrophysiology to a three-field formulation of electromechanics. The intrinsic coupling arises from both excitation-induced contraction of cardiac cells and the deformation-induced generation of intra-cellular currents. The coupled reaction-diffusion equations of the electrical problem and the momentum balance of the mechanical problem are recast into their weak forms through a conventional isoparametric Galerkin approach. As a novel aspect, we propose a monolithic approach to solve the governing equations of excitation-contraction coupling in a fully coupled, implicit sense. We demonstrate the consistent linearization of the resulting set of non-linear residual equations. To assess the algorithmic performance, we illustrate characteristic features by means of representative three-dimensional initial-boundary value problems. The proposed algorithm may open new avenues to patient specific therapy design by circumventing stability and convergence issues inherent to conventional staggered solution schemes. PMID:23175588

Performance of a parallel algebraic multilevel preconditioner for stabilized finite element semiconductor device modeling

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

Lin, Paul T.; Shadid, John N.; Sala, Marzio

In this study results are presented for the large-scale parallel performance of an algebraic multilevel preconditioner for solution of the drift-diffusion model for semiconductor devices. The preconditioner is the key numerical procedure determining the robustness, efficiency and scalability of the fully-coupled Newton-Krylov based, nonlinear solution method that is employed for this system of equations. The coupled system is comprised of a source term dominated Poisson equation for the electric potential, and two convection-diffusion-reaction type equations for the electron and hole concentration. The governing PDEs are discretized in space by a stabilized finite element method. Solution of the discrete system ismore » obtained through a fully-implicit time integrator, a fully-coupled Newton-based nonlinear solver, and a restarted GMRES Krylov linear system solver. The algebraic multilevel preconditioner is based on an aggressive coarsening graph partitioning of the nonzero block structure of the Jacobian matrix. Representative performance results are presented for various choices of multigrid V-cycles and W-cycles and parameter variations for smoothers based on incomplete factorizations. Parallel scalability results are presented for solution of up to 10{sup 8} unknowns on 4096 processors of a Cray XT3/4 and an IBM POWER eServer system.« less

Implicit-Explicit Time Integration Methods for Non-hydrostatic Atmospheric Models

NASA Astrophysics Data System (ADS)

Gardner, D. J.; Guerra, J. E.; Hamon, F. P.; Reynolds, D. R.; Ullrich, P. A.; Woodward, C. S.

2016-12-01

The Accelerated Climate Modeling for Energy (ACME) project is developing a non-hydrostatic atmospheric dynamical core for high-resolution coupled climate simulations on Department of Energy leadership class supercomputers. An important factor in computational efficiency is avoiding the overly restrictive time step size limitations of fully explicit time integration methods due to the stiffest modes present in the model (acoustic waves). In this work we compare the accuracy and performance of different Implicit-Explicit (IMEX) splittings of the non-hydrostatic equations and various Additive Runge-Kutta (ARK) time integration methods. Results utilizing the Tempest non-hydrostatic atmospheric model and the ARKode package show that the choice of IMEX splitting and ARK scheme has a significant impact on the maximum stable time step size as well as solution quality. Horizontally Explicit Vertically Implicit (HEVI) approaches paired with certain ARK methods lead to greatly improved runtimes. With effective preconditioning IMEX splittings that incorporate some implicit horizontal dynamics can be competitive with HEVI results. This work was performed under the auspices of the U.S. Department of Energy by Lawrence Livermore National Laboratory under Contract DE-AC52-07NA27344. LLNL-ABS-699187

Fully implicit Particle-in-cell algorithms for multiscale plasma simulation

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

Chacon, Luis

The outline of the paper is as follows: Particle-in-cell (PIC) methods for fully ionized collisionless plasmas, explicit vs. implicit PIC, 1D ES implicit PIC (charge and energy conservation, moment-based acceleration), and generalization to Multi-D EM PIC: Vlasov-Darwin model (review and motivation for Darwin model, conservation properties (energy, charge, and canonical momenta), and numerical benchmarks). The author demonstrates a fully implicit, fully nonlinear, multidimensional PIC formulation that features exact local charge conservation (via a novel particle mover strategy), exact global energy conservation (no particle self-heating or self-cooling), adaptive particle orbit integrator to control errors in momentum conservation, and canonical momenta (EM-PICmore » only, reduced dimensionality). The approach is free of numerical instabilities: ω peΔt >> 1, and Δx >> λ D. It requires many fewer dofs (vs. explicit PIC) for comparable accuracy in challenging problems. Significant CPU gains (vs explicit PIC) have been demonstrated. The method has much potential for efficiency gains vs. explicit in long-time-scale applications. Moment-based acceleration is effective in minimizing N FE, leading to an optimal algorithm.« less

A conservative fully implicit algorithm for predicting slug flows

NASA Astrophysics Data System (ADS)

Krasnopolsky, Boris I.; Lukyanov, Alexander A.

2018-02-01

An accurate and predictive modelling of slug flows is required by many industries (e.g., oil and gas, nuclear engineering, chemical engineering) to prevent undesired events potentially leading to serious environmental accidents. For example, the hydrodynamic and terrain-induced slugging leads to unwanted unsteady flow conditions. This demands the development of fast and robust numerical techniques for predicting slug flows. The presented in this paper study proposes a multi-fluid model and its implementation method accounting for phase appearance and disappearance. The numerical modelling of phase appearance and disappearance presents a complex numerical challenge for all multi-component and multi-fluid models. Numerical challenges arise from the singular systems of equations when some phases are absent and from the solution discontinuity when some phases appear or disappear. This paper provides a flexible and robust solution to these issues. A fully implicit formulation described in this work enables to efficiently solve governing fluid flow equations. The proposed numerical method provides a modelling capability of phase appearance and disappearance processes, which is based on switching procedure between various sets of governing equations. These sets of equations are constructed using information about the number of phases present in the computational domain. The proposed scheme does not require an explicit truncation of solutions leading to a conservative scheme for mass and linear momentum. A transient two-fluid model is used to verify and validate the proposed algorithm for conditions of hydrodynamic and terrain-induced slug flow regimes. The developed modelling capabilities allow to predict all the major features of the experimental data, and are in a good quantitative agreement with them.

Characteristic-based algorithms for flows in thermo-chemical nonequilibrium

NASA Technical Reports Server (NTRS)

Walters, Robert W.; Cinnella, Pasquale; Slack, David C.; Halt, David

1990-01-01

A generalized finite-rate chemistry algorithm with Steger-Warming, Van Leer, and Roe characteristic-based flux splittings is presented in three-dimensional generalized coordinates for the Navier-Stokes equations. Attention is placed on convergence to steady-state solutions with fully coupled chemistry. Time integration schemes including explicit m-stage Runge-Kutta, implicit approximate-factorization, relaxation and LU decomposition are investigated and compared in terms of residual reduction per unit of CPU time. Practical issues such as code vectorization and memory usage on modern supercomputers are discussed.

Application of the θ-method to a telegraphic model of fluid flow in a dual-porosity medium

NASA Astrophysics Data System (ADS)

González-Calderón, Alfredo; Vivas-Cruz, Luis X.; Herrera-Hernández, Erik César

2018-01-01

This work focuses mainly on the study of numerical solutions, which are obtained using the θ-method, of a generalized Warren and Root model that includes a second-order wave-like equation in its formulation. The solutions approximately describe the single-phase hydraulic head in fractures by considering the finite velocity of propagation by means of a Cattaneo-like equation. The corresponding discretized model is obtained by utilizing a non-uniform grid and a non-uniform time step. A simple relationship is proposed to give the time-step distribution. Convergence is analyzed by comparing results from explicit, fully implicit, and Crank-Nicolson schemes with exact solutions: a telegraphic model of fluid flow in a single-porosity reservoir with relaxation dynamics, the Warren and Root model, and our studied model, which is solved with the inverse Laplace transform. We find that the flux and the hydraulic head have spurious oscillations that most often appear in small-time solutions but are attenuated as the solution time progresses. Furthermore, we show that the finite difference method is unable to reproduce the exact flux at time zero. Obtaining results for oilfield production times, which are in the order of months in real units, is only feasible using parallel implicit schemes. In addition, we propose simple parallel algorithms for the memory flux and for the explicit scheme.

THERMO-HYDRO-MECHANICAL MODELING OF WORKING FLUID INJECTION AND THERMAL ENERGY EXTRACTION IN EGS FRACTURES AND ROCK MATRIX

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

Robert Podgorney; Chuan Lu; Hai Huang

2012-01-01

Development of enhanced geothermal systems (EGS) will require creation of a reservoir of sufficient volume to enable commercial-scale heat transfer from the reservoir rocks to the working fluid. A key assumption associated with reservoir creation/stimulation is that sufficient rock volumes can be hydraulically fractured via both tensile and shear failure, and more importantly by reactivation of naturally existing fractures (by shearing), to create the reservoir. The advancement of EGS greatly depends on our understanding of the dynamics of the intimately coupled rock-fracture-fluid-heat system and our ability to reliably predict how reservoirs behave under stimulation and production. Reliable performance predictions ofmore » EGS reservoirs require accurate and robust modeling for strongly coupled thermal-hydrological-mechanical (THM) processes. Conventionally, these types of problems have been solved using operator-splitting methods, usually by coupling a subsurface flow and heat transport simulators with a solid mechanics simulator via input files. An alternative approach is to solve the system of nonlinear partial differential equations that govern multiphase fluid flow, heat transport, and rock mechanics simultaneously, using a fully coupled, fully implicit solution procedure, in which all solution variables (pressure, enthalpy, and rock displacement fields) are solved simultaneously. This paper describes numerical simulations used to investigate the poro- and thermal- elastic effects of working fluid injection and thermal energy extraction on the properties of the fractures and rock matrix of a hypothetical EGS reservoir, using a novel simulation software FALCON (Podgorney et al., 2011), a finite element based simulator solving fully coupled multiphase fluid flow, heat transport, rock deformation, and fracturing using a global implicit approach. Investigations are also conducted on how these poro- and thermal-elastic effects are related to fracture permeability evolution.« less

Scalable Nonlinear Solvers for Fully Implicit Coupled Nuclear Fuel Modeling. Final Report

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

Cai, Xiao-Chuan; Keyes, David; Yang, Chao

2014-09-29

The focus of the project is on the development and customization of some highly scalable domain decomposition based preconditioning techniques for the numerical solution of nonlinear, coupled systems of partial differential equations (PDEs) arising from nuclear fuel simulations. These high-order PDEs represent multiple interacting physical fields (for example, heat conduction, oxygen transport, solid deformation), each is modeled by a certain type of Cahn-Hilliard and/or Allen-Cahn equations. Most existing approaches involve a careful splitting of the fields and the use of field-by-field iterations to obtain a solution of the coupled problem. Such approaches have many advantages such as ease of implementationmore » since only single field solvers are needed, but also exhibit disadvantages. For example, certain nonlinear interactions between the fields may not be fully captured, and for unsteady problems, stable time integration schemes are difficult to design. In addition, when implemented on large scale parallel computers, the sequential nature of the field-by-field iterations substantially reduces the parallel efficiency. To overcome the disadvantages, fully coupled approaches have been investigated in order to obtain full physics simulations.« less

TRIM—3D: a three-dimensional model for accurate simulation of shallow water flow

USGS Publications Warehouse

Casulli, Vincenzo; Bertolazzi, Enrico; Cheng, Ralph T.

1993-01-01

A semi-implicit finite difference formulation for the numerical solution of three-dimensional tidal circulation is discussed. The governing equations are the three-dimensional Reynolds equations in which the pressure is assumed to be hydrostatic. A minimal degree of implicitness has been introduced in the finite difference formula so that the resulting algorithm permits the use of large time steps at a minimal computational cost. This formulation includes the simulation of flooding and drying of tidal flats, and is fully vectorizable for an efficient implementation on modern vector computers. The high computational efficiency of this method has made it possible to provide the fine details of circulation structure in complex regions that previous studies were unable to obtain. For proper interpretation of the model results suitable interactive graphics is also an essential tool.

Physics Based Model for Cryogenic Chilldown and Loading. Part I: Algorithm

NASA Technical Reports Server (NTRS)

Luchinsky, Dmitry G.; Smelyanskiy, Vadim N.; Brown, Barbara

2014-01-01

We report the progress in the development of the physics based model for cryogenic chilldown and loading. The chilldown and loading is model as fully separated non-equilibrium two-phase flow of cryogenic fluid thermally coupled to the pipe walls. The solution follow closely nearly-implicit and semi-implicit algorithms developed for autonomous control of thermal-hydraulic systems developed by Idaho National Laboratory. A special attention is paid to the treatment of instabilities. The model is applied to the analysis of chilldown in rapid loading system developed at NASA-Kennedy Space Center. The nontrivial characteristic feature of the analyzed chilldown regime is its active control by dump valves. The numerical predictions are in reasonable agreement with the experimental time traces. The obtained results pave the way to the development of autonomous loading operation on the ground and space.

Implicit and semi-implicit schemes in the Versatile Advection Code: numerical tests

NASA Astrophysics Data System (ADS)

Toth, G.; Keppens, R.; Botchev, M. A.

1998-04-01

We describe and evaluate various implicit and semi-implicit time integration schemes applied to the numerical simulation of hydrodynamical and magnetohydrodynamical problems. The schemes were implemented recently in the software package Versatile Advection Code, which uses modern shock capturing methods to solve systems of conservation laws with optional source terms. The main advantage of implicit solution strategies over explicit time integration is that the restrictive constraint on the allowed time step can be (partially) eliminated, thus the computational cost is reduced. The test problems cover one and two dimensional, steady state and time accurate computations, and the solutions contain discontinuities. For each test, we confront explicit with implicit solution strategies.

Nonlinearly preconditioned semismooth Newton methods for variational inequality solution of two-phase flow in porous media

NASA Astrophysics Data System (ADS)

Yang, Haijian; Sun, Shuyu; Yang, Chao

2017-03-01

Most existing methods for solving two-phase flow problems in porous media do not take the physically feasible saturation fractions between 0 and 1 into account, which often destroys the numerical accuracy and physical interpretability of the simulation. To calculate the solution without the loss of this basic requirement, we introduce a variational inequality formulation of the saturation equilibrium with a box inequality constraint, and use a conservative finite element method for the spatial discretization and a backward differentiation formula with adaptive time stepping for the temporal integration. The resulting variational inequality system at each time step is solved by using a semismooth Newton algorithm. To accelerate the Newton convergence and improve the robustness, we employ a family of adaptive nonlinear elimination methods as a nonlinear preconditioner. Some numerical results are presented to demonstrate the robustness and efficiency of the proposed algorithm. A comparison is also included to show the superiority of the proposed fully implicit approach over the classical IMplicit Pressure-Explicit Saturation (IMPES) method in terms of the time step size and the total execution time measured on a parallel computer.

Inexact adaptive Newton methods

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

Bertiger, W.I.; Kelsey, F.J.

1985-02-01

The Inexact Adaptive Newton method (IAN) is a modification of the Adaptive Implicit Method/sup 1/ (AIM) with improved Newton convergence. Both methods simplify the Jacobian at each time step by zeroing coefficients in regions where saturations are changing slowly. The methods differ in how the diagonal block terms are treated. On test problems with up to 3,000 cells, IAN consistently saves approximately 30% of the CPU time when compared to the fully implicit method. AIM shows similar savings on some problems, but takes as much CPU time as fully implicit on other test problems due to poor Newton convergence.

Time integration algorithms for the two-dimensional Euler equations on unstructured meshes

NASA Technical Reports Server (NTRS)

Slack, David C.; Whitaker, D. L.; Walters, Robert W.

1994-01-01

Explicit and implicit time integration algorithms for the two-dimensional Euler equations on unstructured grids are presented. Both cell-centered and cell-vertex finite volume upwind schemes utilizing Roe's approximate Riemann solver are developed. For the cell-vertex scheme, a four-stage Runge-Kutta time integration, a fourstage Runge-Kutta time integration with implicit residual averaging, a point Jacobi method, a symmetric point Gauss-Seidel method and two methods utilizing preconditioned sparse matrix solvers are presented. For the cell-centered scheme, a Runge-Kutta scheme, an implicit tridiagonal relaxation scheme modeled after line Gauss-Seidel, a fully implicit lower-upper (LU) decomposition, and a hybrid scheme utilizing both Runge-Kutta and LU methods are presented. A reverse Cuthill-McKee renumbering scheme is employed for the direct solver to decrease CPU time by reducing the fill of the Jacobian matrix. A comparison of the various time integration schemes is made for both first-order and higher order accurate solutions using several mesh sizes, higher order accuracy is achieved by using multidimensional monotone linear reconstruction procedures. The results obtained for a transonic flow over a circular arc suggest that the preconditioned sparse matrix solvers perform better than the other methods as the number of elements in the mesh increases.

An efficient fully-implicit multislope MUSCL method for multiphase flow with gravity in discrete fractured media

NASA Astrophysics Data System (ADS)

Jiang, Jiamin; Younis, Rami M.

2017-06-01

The first-order methods commonly employed in reservoir simulation for computing the convective fluxes introduce excessive numerical diffusion leading to severe smoothing of displacement fronts. We present a fully-implicit cell-centered finite-volume (CCFV) framework that can achieve second-order spatial accuracy on smooth solutions, while at the same time maintain robustness and nonlinear convergence performance. A novel multislope MUSCL method is proposed to construct the required values at edge centroids in a straightforward and effective way by taking advantage of the triangular mesh geometry. In contrast to the monoslope methods in which a unique limited gradient is used, the multislope concept constructs specific scalar slopes for the interpolations on each edge of a given element. Through the edge centroids, the numerical diffusion caused by mesh skewness is reduced, and optimal second order accuracy can be achieved. Moreover, an improved smooth flux-limiter is introduced to ensure monotonicity on non-uniform meshes. The flux-limiter provides high accuracy without degrading nonlinear convergence performance. The CCFV framework is adapted to accommodate a lower-dimensional discrete fracture-matrix (DFM) model. Several numerical tests with discrete fractured system are carried out to demonstrate the efficiency and robustness of the numerical model.

A fully implicit numerical integration of the relativistic particle equation of motion

NASA Astrophysics Data System (ADS)

Pétri, J.

2017-04-01

Relativistic strongly magnetized plasmas are produced in laboratories thanks to state-of-the-art laser technology but can naturally be found around compact objects such as neutron stars and black holes. Detailed studies of the behaviour of relativistic plasmas require accurate computations able to catch the full spatial and temporal dynamics of the system. Numerical simulations of ultra-relativistic plasmas face severe restrictions due to limitations in the maximum possible Lorentz factors that current algorithms can reproduce to good accuracy. In order to circumvent this flaw and repel the limit to 9$ , we design a new fully implicit scheme to solve the relativistic particle equation of motion in an external electromagnetic field using a three-dimensional Cartesian geometry. We show some examples of numerical integrations in constant electromagnetic fields to prove the efficiency of our algorithm. The code is also able to follow the electric drift motion for high Lorentz factors. In the most general case of spatially and temporally varying electromagnetic fields, the code performs extremely well, as shown by comparison with exact analytical solutions for the relativistic electrostatic Kepler problem as well as for linearly and circularly polarized plane waves.

Development of cost-effective surfactant flooding technology. Final report

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

Pope, G.A.; Sepehrnoori, K.

1996-11-01

Task 1 of this research was the development of a high-resolution, fully implicit, finite-difference, multiphase, multicomponent, compositional simulator for chemical flooding. The major physical phenomena modeled in this simulator are dispersion, heterogeneous permeability and porosity, adsorption, interfacial tension, relative permeability and capillary desaturation, compositional phase viscosity, compositional phase density and gravity effects, capillary pressure, and aqueous-oleic-microemulsion phase behavior. Polymer and its non-Newtonian rheology properties include shear-thinning viscosity, permeability reduction, inaccessible pore volume, and adsorption. Options of constant or variable space grids and time steps, constant-pressure or constant-rate well conditions, horizontal and vertical wells, and multiple slug injections are also availablemore » in the simulator. The solution scheme used in this simulator is fully implicit. The pressure equation and the mass-conservation equations are solved simultaneously for the aqueous-phase pressure and the total concentrations of each component. A third-order-in-space, second-order-in-time finite-difference method and a new total-variation-diminishing (TVD) third-order flux limiter are used that greatly reduce numerical dispersion effects. Task 2 was the optimization of surfactant flooding. The code UTCHEM was used to simulate surfactant polymer flooding.« less

An implicit semianalytic numerical method for the solution of nonequilibrium chemistry problems

NASA Technical Reports Server (NTRS)

Graves, R. A., Jr.; Gnoffo, P. A.; Boughner, R. E.

1974-01-01

The first order differential equation form systems of equations. They are solved by a simple and relatively accurate implicit semianalytic technique which is derived from a quadrature solution of the governing equation. This method is mathematically simpler than most implicit methods and has the exponential nature of the problem embedded in the solution.

A numerical method for the solution of internal pipe/channel flows in laminar or turbulent motion

NASA Astrophysics Data System (ADS)

Lourenco, L.; Essers, J. A.

1981-11-01

A computer program which is useful in the solution of problems of internal turbulent or laminar flow without recirculation is described. The flow is treated in terms of parabolic boundary layer differential equations. The eddy diffusivity concept is used to model turbulent stresses. Two turbulent models are available: the Prandtl mixing length model and the Nee-Kovasznay model for the effective viscosity. Fluid is considered incompressible, but little program modification is needed to treat compressible flows. Initial conditions are prescribed as well as the boundary conditions. The differencing scheme employed is fully implicit for the dependent variables. This allows the use of relatively large forward steps without stability problems.

An improved semi-implicit method for structural dynamics analysis

NASA Technical Reports Server (NTRS)

Park, K. C.

1982-01-01

A semi-implicit algorithm is presented for direct time integration of the structural dynamics equations. The algorithm avoids the factoring of the implicit difference solution matrix and mitigates the unacceptable accuracy losses which plagued previous semi-implicit algorithms. This substantial accuracy improvement is achieved by augmenting the solution matrix with two simple diagonal matrices of the order of the integration truncation error.

Toward textbook multigrid efficiency for fully implicit resistive magnetohydrodynamics

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

Adams, Mark F.; Samtaney, Ravi, E-mail: samtaney@pppl.go; Brandt, Achi

2010-09-01

Multigrid methods can solve some classes of elliptic and parabolic equations to accuracy below the truncation error with a work-cost equivalent to a few residual calculations - so-called 'textbook' multigrid efficiency. We investigate methods to solve the system of equations that arise in time dependent magnetohydrodynamics (MHD) simulations with textbook multigrid efficiency. We apply multigrid techniques such as geometric interpolation, full approximate storage, Gauss-Seidel smoothers, and defect correction for fully implicit, nonlinear, second-order finite volume discretizations of MHD. We apply these methods to a standard resistive MHD benchmark problem, the GEM reconnection problem, and add a strong magnetic guide field,more » which is a critical characteristic of magnetically confined fusion plasmas. We show that our multigrid methods can achieve near textbook efficiency on fully implicit resistive MHD simulations.« less

Toward textbook multigrid efficiency for fully implicit resistive magnetohydrodynamics

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

Adams, Mark F.; Samtaney, Ravi; Brandt, Achi

2010-09-01

Multigrid methods can solve some classes of elliptic and parabolic equations to accuracy below the truncation error with a work-cost equivalent to a few residual calculations – so-called ‘‘textbook” multigrid efficiency. We investigate methods to solve the system of equations that arise in time dependent magnetohydrodynamics (MHD) simulations with textbook multigrid efficiency. We apply multigrid techniques such as geometric interpolation, full approximate storage, Gauss–Seidel smoothers, and defect correction for fully implicit, nonlinear, second-order finite volume discretizations of MHD. We apply these methods to a standard resistive MHD benchmark problem, the GEM reconnection problem, and add a strong magnetic guide field,more » which is a critical characteristic of magnetically confined fusion plasmas. We show that our multigrid methods can achieve near textbook efficiency on fully implicit resistive MHD simulations.« less

Toward textbook multigrid efficiency for fully implicit resistive magnetohydrodynamics

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

Adams, Mark F.; Samtaney, Ravi; Brandt, Achi

2013-12-14

Multigrid methods can solve some classes of elliptic and parabolic equations to accuracy below the truncation error with a work-cost equivalent to a few residual calculations – so-called “textbook” multigrid efficiency. We investigate methods to solve the system of equations that arise in time dependent magnetohydrodynamics (MHD) simulations with textbook multigrid efficiency. We apply multigrid techniques such as geometric interpolation, full approximate storage, Gauss-Seidel smoothers, and defect correction for fully implicit, nonlinear, second-order finite volume discretizations of MHD. We apply these methods to a standard resistive MHD benchmark problem, the GEM reconnection problem, and add a strong magnetic guide field,more » which is a critical characteristic of magnetically confined fusion plasmas. We show that our multigrid methods can achieve near textbook efficiency on fully implicit resistive MHD simulations.« less

Multi-dimensional, fully implicit, exactly conserving electromagnetic particle-in-cell simulations in curvilinear geometry

NASA Astrophysics Data System (ADS)

Chen, Guangye; Chacon, Luis

2015-11-01

We discuss a new, conservative, fully implicit 2D3V Vlasov-Darwin particle-in-cell algorithm in curvilinear geometry for non-radiative, electromagnetic kinetic plasma simulations. Unlike standard explicit PIC schemes, fully implicit PIC algorithms are unconditionally stable and allow exact discrete energy and charge conservation. Here, we extend these algorithms to curvilinear geometry. The algorithm retains its exact conservation properties in curvilinear grids. The nonlinear iteration is effectively accelerated with a fluid preconditioner for weakly to modestly magnetized plasmas, which allows efficient use of large timesteps, O (√{mi/me}c/veT) larger than the explicit CFL. In this presentation, we will introduce the main algorithmic components of the approach, and demonstrate the accuracy and efficiency properties of the algorithm with various numerical experiments in 1D (slow shock) and 2D (island coalescense).

Proteus two-dimensional Navier-Stokes computer code, version 2.0. Volume 1: Analysis description

NASA Technical Reports Server (NTRS)

Towne, Charles E.; Schwab, John R.; Bui, Trong T.

1993-01-01

A computer code called Proteus 2D was developed to solve the two-dimensional planar or axisymmetric, Reynolds-averaged, unsteady compressible Navier-Stokes equations in strong conservation law form. The objective in this effort was to develop a code for aerospace propulsion applications that is easy to use and easy to modify. Code readability, modularity, and documentation were emphasized. The governing equations are solved in generalized nonorthogonal body-fitted coordinates, by marching in time using a fully-coupled ADI solution procedure. The boundary conditions are treated implicitly. All terms, including the diffusion terms, are linearized using second-order Taylor series expansions. Turbulence is modeled using either an algebraic or two-equation eddy viscosity model. The thin-layer or Euler equations may also be solved. The energy equation may be eliminated by the assumption of constant total enthalpy. Explicit and implicit artificial viscosity may be used. Several time step options are available for convergence acceleration. The documentation is divided into three volumes. This is the Analysis Description, and presents the equations and solution procedure. The governing equations, the turbulence model, the linearization of the equations and boundary conditions, the time and space differencing formulas, the ADI solution procedure, and the artificial viscosity models are described in detail.

Proteus three-dimensional Navier-Stokes computer code, version 1.0. Volume 1: Analysis description

NASA Technical Reports Server (NTRS)

Towne, Charles E.; Schwab, John R.; Bui, Trong T.

1993-01-01

A computer code called Proteus 3D has been developed to solve the three dimensional, Reynolds averaged, unsteady compressible Navier-Stokes equations in strong conservation law form. The objective in this effort has been to develop a code for aerospace propulsion applications that is easy to use and easy to modify. Code readability, modularity, and documentation have been emphasized. The governing equations are solved in generalized non-orthogonal body-fitted coordinates by marching in time using a fully-coupled ADI solution procedure. The boundary conditions are treated implicitly. All terms, including the diffusion terms, are linearized using second-order Taylor series expansions. Turbulence is modeled using either an algebraic or two-equation eddy viscosity model. The thin-layer or Euler equations may also be solved. The energy equation may be eliminated by the assumption of constant total enthalpy. Explicit and implicit artificial viscosity may be used. Several time step options are available for convergence acceleration. The documentation is divided into three volumes. This is the Analysis Description, and presents the equations and solution procedure. It describes in detail the governing equations, the turbulence model, the linearization of the equations and boundary conditions, the time and space differencing formulas, the ADI solution procedure, and the artificial viscosity models.

On coupling fluid plasma and kinetic neutral physics models

DOE PAGES

Joseph, I.; Rensink, M. E.; Stotler, D. P.; ...

2017-03-01

The coupled fluid plasma and kinetic neutral physics equations are analyzed through theory and simulation of benchmark cases. It is shown that coupling methods that do not treat the coupling rates implicitly are restricted to short time steps for stability. Fast charge exchange, ionization and recombination coupling rates exist, even after constraining the solution by requiring that the neutrals are at equilibrium. For explicit coupling, the present implementation of Monte Carlo correlated sampling techniques does not allow for complete convergence in slab geometry. For the benchmark case, residuals decay with particle number and increase with grid size, indicating that theymore » scale in a manner that is similar to the theoretical prediction for nonlinear bias error. Progress is reported on implementation of a fully implicit Jacobian-free Newton–Krylov coupling scheme. The present block Jacobi preconditioning method is still sensitive to time step and methods that better precondition the coupled system are under investigation.« less

Combining the ensemble and Franck-Condon approaches for calculating spectral shapes of molecules in solution

NASA Astrophysics Data System (ADS)

Zuehlsdorff, T. J.; Isborn, C. M.

2018-01-01

The correct treatment of vibronic effects is vital for the modeling of absorption spectra of many solvated dyes. Vibronic spectra for small dyes in solution can be easily computed within the Franck-Condon approximation using an implicit solvent model. However, implicit solvent models neglect specific solute-solvent interactions on the electronic excited state. On the other hand, a straightforward way to account for solute-solvent interactions and temperature-dependent broadening is by computing vertical excitation energies obtained from an ensemble of solute-solvent conformations. Ensemble approaches usually do not account for vibronic transitions and thus often produce spectral shapes in poor agreement with experiment. We address these shortcomings by combining zero-temperature vibronic fine structure with vertical excitations computed for a room-temperature ensemble of solute-solvent configurations. In this combined approach, all temperature-dependent broadening is treated classically through the sampling of configurations and quantum mechanical vibronic contributions are included as a zero-temperature correction to each vertical transition. In our calculation of the vertical excitations, significant regions of the solvent environment are treated fully quantum mechanically to account for solute-solvent polarization and charge-transfer. For the Franck-Condon calculations, a small amount of frozen explicit solvent is considered in order to capture solvent effects on the vibronic shape function. We test the proposed method by comparing calculated and experimental absorption spectra of Nile red and the green fluorescent protein chromophore in polar and non-polar solvents. For systems with strong solute-solvent interactions, the combined approach yields significant improvements over the ensemble approach. For systems with weak to moderate solute-solvent interactions, both the high-energy vibronic tail and the width of the spectra are in excellent agreement with experiments.

Multidimensional, fully implicit, exactly conserving electromagnetic particle-in-cell simulations

NASA Astrophysics Data System (ADS)

Chacon, Luis

2015-09-01

We discuss a new, conservative, fully implicit 2D-3V particle-in-cell algorithm for non-radiative, electromagnetic kinetic plasma simulations, based on the Vlasov-Darwin model. Unlike earlier linearly implicit PIC schemes and standard explicit PIC schemes, fully implicit PIC algorithms are unconditionally stable and allow exact discrete energy and charge conservation. This has been demonstrated in 1D electrostatic and electromagnetic contexts. In this study, we build on these recent algorithms to develop an implicit, orbit-averaged, time-space-centered finite difference scheme for the Darwin field and particle orbit equations for multiple species in multiple dimensions. The Vlasov-Darwin model is very attractive for PIC simulations because it avoids radiative noise issues in non-radiative electromagnetic regimes. The algorithm conserves global energy, local charge, and particle canonical-momentum exactly, even with grid packing. The nonlinear iteration is effectively accelerated with a fluid preconditioner, which allows efficient use of large timesteps, O(√{mi/me}c/veT) larger than the explicit CFL. In this presentation, we will introduce the main algorithmic components of the approach, and demonstrate the accuracy and efficiency properties of the algorithm with various numerical experiments in 1D and 2D. Support from the LANL LDRD program and the DOE-SC ASCR office.

An interacting boundary layer model for cascades

NASA Technical Reports Server (NTRS)

Davis, R. T.; Rothmayer, A. P.

1983-01-01

A laminar, incompressible interacting boundary layer model is developed for two-dimensional cascades. In the limit of large cascade spacing these equations reduce to the interacting boundary layer equations for a single body immersed in an infinite stream. A fully implicit numerical method is used to solve the governing equations, and is found to be at least as efficient as the same technique applied to the single body problem. Solutions are then presented for a cascade of finite flat plates and a cascade of finite sine-waves, with cusped leading and trailing edges.

Non-equilibrium radiation from viscous chemically reacting two-phase exhaust plumes

NASA Technical Reports Server (NTRS)

Penny, M. M.; Smith, S. D.; Mikatarian, R. R.; Ring, L. R.; Anderson, P. G.

1976-01-01

A knowledge of the structure of the rocket exhaust plumes is necessary to solve problems involving plume signatures, base heating, plume/surface interactions, etc. An algorithm is presented which treats the viscous flow of multiphase chemically reacting fluids in a two-dimensional or axisymmetric supersonic flow field. The gas-particle flow solution is fully coupled with the chemical kinetics calculated using an implicit scheme to calculate chemical production rates. Viscous effects include chemical species diffusion with the viscosity coefficient calculated using a two-equation turbulent kinetic energy model.

Numerical solution of the full potential equation using a chimera grid approach

NASA Technical Reports Server (NTRS)

Holst, Terry L.

1995-01-01

A numerical scheme utilizing a chimera zonal grid approach for solving the full potential equation in two spatial dimensions is described. Within each grid zone a fully-implicit approximate factorization scheme is used to advance the solution one interaction. This is followed by the explicit advance of all common zonal grid boundaries using a bilinear interpolation of the velocity potential. The presentation is highlighted with numerical results simulating the flow about a two-dimensional, nonlifting, circular cylinder. For this problem, the flow domain is divided into two parts: an inner portion covered by a polar grid and an outer portion covered by a Cartesian grid. Both incompressible and compressible (transonic) flow solutions are included. Comparisons made with an analytic solution as well as single grid results indicate that the chimera zonal grid approach is a viable technique for solving the full potential equation.

MOOSE: A parallel computational framework for coupled systems of nonlinear equations.

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

Derek Gaston; Chris Newman; Glen Hansen

Systems of coupled, nonlinear partial differential equations (PDEs) often arise in simulation of nuclear processes. MOOSE: Multiphysics Object Oriented Simulation Environment, a parallel computational framework targeted at the solution of such systems, is presented. As opposed to traditional data-flow oriented computational frameworks, MOOSE is instead founded on the mathematical principle of Jacobian-free Newton-Krylov (JFNK) solution methods. Utilizing the mathematical structure present in JFNK, physics expressions are modularized into `Kernels,'' allowing for rapid production of new simulation tools. In addition, systems are solved implicitly and fully coupled, employing physics based preconditioning, which provides great flexibility even with large variance in timemore » scales. A summary of the mathematics, an overview of the structure of MOOSE, and several representative solutions from applications built on the framework are presented.« less

Fully implicit moving mesh adaptive algorithm

NASA Astrophysics Data System (ADS)

Serazio, C.; Chacon, L.; Lapenta, G.

2006-10-01

In many problems of interest, the numerical modeler is faced with the challenge of dealing with multiple time and length scales. The former is best dealt with with fully implicit methods, which are able to step over fast frequencies to resolve the dynamical time scale of interest. The latter requires grid adaptivity for efficiency. Moving-mesh grid adaptive methods are attractive because they can be designed to minimize the numerical error for a given resolution. However, the required grid governing equations are typically very nonlinear and stiff, and of considerably difficult numerical treatment. Not surprisingly, fully coupled, implicit approaches where the grid and the physics equations are solved simultaneously are rare in the literature, and circumscribed to 1D geometries. In this study, we present a fully implicit algorithm for moving mesh methods that is feasible for multidimensional geometries. Crucial elements are the development of an effective multilevel treatment of the grid equation, and a robust, rigorous error estimator. For the latter, we explore the effectiveness of a coarse grid correction error estimator, which faithfully reproduces spatial truncation errors for conservative equations. We will show that the moving mesh approach is competitive vs. uniform grids both in accuracy (due to adaptivity) and efficiency. Results for a variety of models 1D and 2D geometries will be presented. L. Chac'on, G. Lapenta, J. Comput. Phys., 212 (2), 703 (2006) G. Lapenta, L. Chac'on, J. Comput. Phys., accepted (2006)

Development of a fully implicit particle-in-cell scheme for gyrokinetic electromagnetic turbulence simulation in XGC1

NASA Astrophysics Data System (ADS)

Ku, Seung-Hoe; Hager, R.; Chang, C. S.; Chacon, L.; Chen, G.; EPSI Team

2016-10-01

The cancelation problem has been a long-standing issue for long wavelengths modes in electromagnetic gyrokinetic PIC simulations in toroidal geometry. As an attempt of resolving this issue, we implemented a fully implicit time integration scheme in the full-f, gyrokinetic PIC code XGC1. The new scheme - based on the implicit Vlasov-Darwin PIC algorithm by G. Chen and L. Chacon - can potentially resolve cancelation problem. The time advance for the field and the particle equations is space-time-centered, with particle sub-cycling. The resulting system of equations is solved by a Picard iteration solver with fixed-point accelerator. The algorithm is implemented in the parallel velocity formalism instead of the canonical parallel momentum formalism. XGC1 specializes in simulating the tokamak edge plasma with magnetic separatrix geometry. A fully implicit scheme could be a way to accurate and efficient gyrokinetic simulations. We will test if this numerical scheme overcomes the cancelation problem, and reproduces the dispersion relation of Alfven waves and tearing modes in cylindrical geometry. Funded by US DOE FES and ASCR, and computing resources provided by OLCF through ALCC.

Efficient Coupling of Fluid-Plasma and Monte-Carlo-Neutrals Models for Edge Plasma Transport

NASA Astrophysics Data System (ADS)

Dimits, A. M.; Cohen, B. I.; Friedman, A.; Joseph, I.; Lodestro, L. L.; Rensink, M. E.; Rognlien, T. D.; Sjogreen, B.; Stotler, D. P.; Umansky, M. V.

2017-10-01

UEDGE has been valuable for modeling transport in the tokamak edge and scrape-off layer due in part to its efficient fully implicit solution of coupled fluid neutrals and plasma models. We are developing an implicit coupling of the kinetic Monte-Carlo (MC) code DEGAS-2, as the neutrals model component, to the UEDGE plasma component, based on an extension of the Jacobian-free Newton-Krylov (JFNK) method to MC residuals. The coupling components build on the methods and coding already present in UEDGE. For the linear Krylov iterations, a procedure has been developed to ``extract'' a good preconditioner from that of UEDGE. This preconditioner may also be used to greatly accelerate the convergence rate of a relaxed fixed-point iteration, which may provide a useful ``intermediate'' algorithm. The JFNK method also requires calculation of Jacobian-vector products, for which any finite-difference procedure is inaccurate when a MC component is present. A semi-analytical procedure that retains the standard MC accuracy and fully kinetic neutrals physics is therefore being developed. Prepared for US DOE by LLNL under Contract DE-AC52-07NA27344 and LDRD project 15-ERD-059, by PPPL under Contract DE-AC02-09CH11466, and supported in part by the U.S. DOE, OFES.

Asymptotic integration algorithms for nonhomogeneous, nonlinear, first order, ordinary differential equations

NASA Technical Reports Server (NTRS)

Walker, K. P.; Freed, A. D.

1991-01-01

New methods for integrating systems of stiff, nonlinear, first order, ordinary differential equations are developed by casting the differential equations into integral form. Nonlinear recursive relations are obtained that allow the solution to a system of equations at time t plus delta t to be obtained in terms of the solution at time t in explicit and implicit forms. Examples of accuracy obtained with the new technique are given by considering systems of nonlinear, first order equations which arise in the study of unified models of viscoplastic behaviors, the spread of the AIDS virus, and predator-prey populations. In general, the new implicit algorithm is unconditionally stable, and has a Jacobian of smaller dimension than that which is acquired by current implicit methods, such as the Euler backward difference algorithm; yet, it gives superior accuracy. The asymptotic explicit and implicit algorithms are suitable for solutions that are of the growing and decaying exponential kinds, respectively, whilst the implicit Euler-Maclaurin algorithm is superior when the solution oscillates, i.e., when there are regions in which both growing and decaying exponential solutions exist.

Exactly energy conserving semi-implicit particle in cell formulation

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

Lapenta, Giovanni, E-mail: giovanni.lapenta@kuleuven.be

We report a new particle in cell (PIC) method based on the semi-implicit approach. The novelty of the new method is that unlike any of its semi-implicit predecessors at the same time it retains the explicit computational cycle and conserves energy exactly. Recent research has presented fully implicit methods where energy conservation is obtained as part of a non-linear iteration procedure. The new method (referred to as Energy Conserving Semi-Implicit Method, ECSIM), instead, does not require any non-linear iteration and its computational cycle is similar to that of explicit PIC. The properties of the new method are: i) it conservesmore » energy exactly to round-off for any time step or grid spacing; ii) it is unconditionally stable in time, freeing the user from the need to resolve the electron plasma frequency and allowing the user to select any desired time step; iii) it eliminates the constraint of the finite grid instability, allowing the user to select any desired resolution without being forced to resolve the Debye length; iv) the particle mover has a computational complexity identical to that of the explicit PIC, only the field solver has an increased computational cost. The new ECSIM is tested in a number of benchmarks where accuracy and computational performance are tested. - Highlights: • We present a new fully energy conserving semi-implicit particle in cell (PIC) method based on the implicit moment method (IMM). The new method is called Energy Conserving Implicit Moment Method (ECIMM). • The novelty of the new method is that unlike any of its predecessors at the same time it retains the explicit computational cycle and conserves energy exactly. • The new method is unconditionally stable in time, freeing the user from the need to resolve the electron plasma frequency. • The new method eliminates the constraint of the finite grid instability, allowing the user to select any desired resolution without being forced to resolve the Debye length. • These features are achieved at a reduced cost compared with either previous IMM or fully implicit implementation of PIC.« less

Technical Feasibility of Centrifugal Techniques for Evaluating Hazardous Waste Migration

DTIC Science & Technology

1987-12-01

direct evaluation of the -influence of acceleration on soil moisture movement. A fully implicit finite difference solution scheme was used. The...using the finite difference scheme mentioned earlier. 2. The soil test apparatus for the centrifuge tests was designed and constructed. 110 3...npcr3 f~nJPX 115 S.. 0i U 4 I3 u cc/ U) C~j tC LL~~*- Lý u ’ uiu ’ 4-’ Uju x~j~r3np~~r~tj~jpU W3= 116 Finite Difference Model The finite difference

Variational Implicit Solvation with Solute Molecular Mechanics: From Diffuse-Interface to Sharp-Interface Models.

PubMed

Li, Bo; Zhao, Yanxiang

2013-01-01

Central in a variational implicit-solvent description of biomolecular solvation is an effective free-energy functional of the solute atomic positions and the solute-solvent interface (i.e., the dielectric boundary). The free-energy functional couples together the solute molecular mechanical interaction energy, the solute-solvent interfacial energy, the solute-solvent van der Waals interaction energy, and the electrostatic energy. In recent years, the sharp-interface version of the variational implicit-solvent model has been developed and used for numerical computations of molecular solvation. In this work, we propose a diffuse-interface version of the variational implicit-solvent model with solute molecular mechanics. We also analyze both the sharp-interface and diffuse-interface models. We prove the existence of free-energy minimizers and obtain their bounds. We also prove the convergence of the diffuse-interface model to the sharp-interface model in the sense of Γ-convergence. We further discuss properties of sharp-interface free-energy minimizers, the boundary conditions and the coupling of the Poisson-Boltzmann equation in the diffuse-interface model, and the convergence of forces from diffuse-interface to sharp-interface descriptions. Our analysis relies on the previous works on the problem of minimizing surface areas and on our observations on the coupling between solute molecular mechanical interactions with the continuum solvent. Our studies justify rigorously the self consistency of the proposed diffuse-interface variational models of implicit solvation.

The time course of explicit and implicit categorization.

PubMed

Smith, J David; Zakrzewski, Alexandria C; Herberger, Eric R; Boomer, Joseph; Roeder, Jessica L; Ashby, F Gregory; Church, Barbara A

2015-10-01

Contemporary theory in cognitive neuroscience distinguishes, among the processes and utilities that serve categorization, explicit and implicit systems of category learning that learn, respectively, category rules by active hypothesis testing or adaptive behaviors by association and reinforcement. Little is known about the time course of categorization within these systems. Accordingly, the present experiments contrasted tasks that fostered explicit categorization (because they had a one-dimensional, rule-based solution) or implicit categorization (because they had a two-dimensional, information-integration solution). In Experiment 1, participants learned categories under unspeeded or speeded conditions. In Experiment 2, they applied previously trained category knowledge under unspeeded or speeded conditions. Speeded conditions selectively impaired implicit category learning and implicit mature categorization. These results illuminate the processing dynamics of explicit/implicit categorization.

Implicit Kalman filtering

NASA Technical Reports Server (NTRS)

Skliar, M.; Ramirez, W. F.

1997-01-01

For an implicitly defined discrete system, a new algorithm for Kalman filtering is developed and an efficient numerical implementation scheme is proposed. Unlike the traditional explicit approach, the implicit filter can be readily applied to ill-conditioned systems and allows for generalization to descriptor systems. The implementation of the implicit filter depends on the solution of the congruence matrix equation (A1)(Px)(AT1) = Py. We develop a general iterative method for the solution of this equation, and prove necessary and sufficient conditions for convergence. It is shown that when the system matrices of an implicit system are sparse, the implicit Kalman filter requires significantly less computer time and storage to implement as compared to the traditional explicit Kalman filter. Simulation results are presented to illustrate and substantiate the theoretical developments.

MOOSE: A PARALLEL COMPUTATIONAL FRAMEWORK FOR COUPLED SYSTEMS OF NONLINEAR EQUATIONS.

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

G. Hansen; C. Newman; D. Gaston

Systems of coupled, nonlinear partial di?erential equations often arise in sim- ulation of nuclear processes. MOOSE: Multiphysics Ob ject Oriented Simulation Environment, a parallel computational framework targeted at solving these systems is presented. As opposed to traditional data / ?ow oriented com- putational frameworks, MOOSE is instead founded on mathematics based on Jacobian-free Newton Krylov (JFNK). Utilizing the mathematical structure present in JFNK, physics are modularized into “Kernels” allowing for rapid production of new simulation tools. In addition, systems are solved fully cou- pled and fully implicit employing physics based preconditioning allowing for a large amount of ?exibility even withmore » large variance in time scales. Background on the mathematics, an inspection of the structure of MOOSE and several rep- resentative solutions from applications built on the framework are presented.« less

A fully vectorized numerical solution of the incompressible Navier-Stokes equations. Ph.D. Thesis

NASA Technical Reports Server (NTRS)

Patel, N.

1983-01-01

A vectorizable algorithm is presented for the implicit finite difference solution of the incompressible Navier-Stokes equations in general curvilinear coordinates. The unsteady Reynolds averaged Navier-Stokes equations solved are in two dimension and non-conservative primitive variable form. A two-layer algebraic eddy viscosity turbulence model is used to incorporate the effects of turbulence. Two momentum equations and a Poisson pressure equation, which is obtained by taking the divergence of the momentum equations and satisfying the continuity equation, are solved simultaneously at each time step. An elliptic grid generation approach is used to generate a boundary conforming coordinate system about an airfoil. The governing equations are expressed in terms of the curvilinear coordinates and are solved on a uniform rectangular computational domain. A checkerboard SOR, which can effectively utilize the computer architectural concept of vector processing, is used for iterative solution of the governing equations.

A Penalty Method for the Numerical Solution of Hamilton-Jacobi-Bellman (HJB) Equations in Finance

NASA Astrophysics Data System (ADS)

Witte, J. H.; Reisinger, C.

2010-09-01

We present a simple and easy to implement method for the numerical solution of a rather general class of Hamilton-Jacobi-Bellman (HJB) equations. In many cases, the considered problems have only a viscosity solution, to which, fortunately, many intuitive (e.g. finite difference based) discretisations can be shown to converge. However, especially when using fully implicit time stepping schemes with their desireable stability properties, one is still faced with the considerable task of solving the resulting nonlinear discrete system. In this paper, we introduce a penalty method which approximates the nonlinear discrete system to an order of O(1/ρ), where ρ>0 is the penalty parameter, and we show that an iterative scheme can be used to solve the penalised discrete problem in finitely many steps. We include a number of examples from mathematical finance for which the described approach yields a rigorous numerical scheme and present numerical results.

Implicit Theories of Intelligence and Personality, Self-Efficacy in Problem Solving, and the Perception of Skills and Competences in High School Students in Sicily, Italy

ERIC Educational Resources Information Center

Pirrone, Concetta; Commodari, Elena

2013-01-01

Various theories of intelligence and personality (TIP) help explain the implicit beliefs that an individual develops about the functioning of his intelligence and personality. Such beliefs are defined "implicit" because the individual might not be fully aware of his or her belief system. The results from scientific research on the TIP…

An efficient solution technique for shockwave-boundary layer interactions with flow separation and slot suction effects

NASA Technical Reports Server (NTRS)

Edwards, Jack R.; Mcrae, D. Scott

1991-01-01

An efficient method for computing two-dimensional compressible Navier-Stokes flow fields is presented. The solution algorithm is a fully-implicit approximate factorization technique based on an unsymmetric line Gauss-Seidel splitting of the equation system Jacobian matrix. Convergence characteristics are improved by the addition of acceleration techniques based on Shamanskii's method for nonlinear equations and Broyden's quasi-Newton update. Characteristic-based differencing of the equations is provided by means of Van Leer's flux vector splitting. In this investigation, emphasis is placed on the fast and accurate computation of shock-wave-boundary layer interactions with and without slot suction effects. In the latter context, a set of numerical boundary conditions for simulating the transpiration flow in an open slot is devised. Both laminar and turbulent cases are considered, with turbulent closure provided by a modified Cebeci-Smith algebraic model. Comparisons with computational and experimental data sets are presented for a variety of interactions, and a fully-coupled simulation of a plenum chamber/inlet flowfield with shock interaction and suction is also shown and discussed.

Agglomeration Multigrid for an Unstructured-Grid Flow Solver

NASA Technical Reports Server (NTRS)

Frink, Neal; Pandya, Mohagna J.

2004-01-01

An agglomeration multigrid scheme has been implemented into the sequential version of the NASA code USM3Dns, tetrahedral cell-centered finite volume Euler/Navier-Stokes flow solver. Efficiency and robustness of the multigrid-enhanced flow solver have been assessed for three configurations assuming an inviscid flow and one configuration assuming a viscous fully turbulent flow. The inviscid studies include a transonic flow over the ONERA M6 wing and a generic business jet with flow-through nacelles and a low subsonic flow over a high-lift trapezoidal wing. The viscous case includes a fully turbulent flow over the RAE 2822 rectangular wing. The multigrid solutions converged with 12%-33% of the Central Processing Unit (CPU) time required by the solutions obtained without multigrid. For all of the inviscid cases, multigrid in conjunction with an explicit time-stepping scheme performed the best with regard to the run time memory and CPU time requirements. However, for the viscous case multigrid had to be used with an implicit backward Euler time-stepping scheme that increased the run time memory requirement by 22% as compared to the run made without multigrid.

Vectorized schemes for conical potential flow using the artificial density method

NASA Technical Reports Server (NTRS)

Bradley, P. F.; Dwoyer, D. L.; South, J. C., Jr.; Keen, J. M.

1984-01-01

A method is developed to determine solutions to the full-potential equation for steady supersonic conical flow using the artificial density method. Various update schemes used generally for transonic potential solutions are investigated. The schemes are compared for speed and robustness. All versions of the computer code have been vectorized and are currently running on the CYBER-203 computer. The update schemes are vectorized, where possible, either fully (explicit schemes) or partially (implicit schemes). Since each version of the code differs only by the update scheme and elements other than the update scheme are completely vectorizable, comparisons of computational effort and convergence rate among schemes are a measure of the specific scheme's performance. Results are presented for circular and elliptical cones at angle of attack for subcritical and supercritical crossflows.

A scalable, fully implicit algorithm for the reduced two-field low-β extended MHD model

DOE PAGES

Chacon, Luis; Stanier, Adam John

2016-12-01

Here, we demonstrate a scalable fully implicit algorithm for the two-field low-β extended MHD model. This reduced model describes plasma behavior in the presence of strong guide fields, and is of significant practical impact both in nature and in laboratory plasmas. The model displays strong hyperbolic behavior, as manifested by the presence of fast dispersive waves, which make a fully implicit treatment very challenging. In this study, we employ a Jacobian-free Newton–Krylov nonlinear solver, for which we propose a physics-based preconditioner that renders the linearized set of equations suitable for inversion with multigrid methods. As a result, the algorithm ismore » shown to scale both algorithmically (i.e., the iteration count is insensitive to grid refinement and timestep size) and in parallel in a weak-scaling sense, with the wall-clock time scaling weakly with the number of cores for up to 4096 cores. For a 4096 × 4096 mesh, we demonstrate a wall-clock-time speedup of ~6700 with respect to explicit algorithms. The model is validated linearly (against linear theory predictions) and nonlinearly (against fully kinetic simulations), demonstrating excellent agreement.« less

OTIS 3.2 Software Released

NASA Technical Reports Server (NTRS)

Riehl, John P.; Sjauw, Waldy K.

2004-01-01

Trajectory, mission, and vehicle engineers concern themselves with finding the best way for an object to get from one place to another. These engineers rely upon special software to assist them in this. For a number of years, many engineers have used the OTIS program for this assistance. With OTIS, an engineer can fully optimize trajectories for airplanes, launch vehicles like the space shuttle, interplanetary spacecraft, and orbital transfer vehicles. OTIS provides four modes of operation, with each mode providing successively stronger optimization capability. The most powerful mode uses a mathematical method called implicit integration to solve what engineers and mathematicians call the optimal control problem. OTIS 3.2, which was developed at the NASA Glenn Research Center, is the latest release of this industry workhorse and features new capabilities for parameter optimization and mission design. OTIS stands for Optimal Control by Implicit Simulation, and it is implicit integration that makes OTIS so powerful at solving trajectory optimization problems. Why is this so important? The optimization process not only determines how to get from point A to point B, but it can also determine how to do this with the least amount of propellant, with the lightest starting weight, or in the fastest time possible while avoiding certain obstacles along the way. There are numerous conditions that engineers can use to define optimal, or best. OTIS provides a framework for defining the starting and ending points of the trajectory (point A and point B), the constraints on the trajectory (requirements like "avoid these regions where obstacles occur"), and what is being optimized (e.g., minimize propellant). The implicit integration method can find solutions to very complicated problems when there is not a lot of information available about what the optimal trajectory might be. The method was first developed for solving two-point boundary value problems and was adapted for use in OTIS. Implicit integration usually allows OTIS to find solutions to problems much faster than programs that use explicit integration and parametric methods. Consequently, OTIS is best suited to solving very complicated and highly constrained problems.

Fully implicit adaptive mesh refinement MHD algorithm

NASA Astrophysics Data System (ADS)

Philip, Bobby

2005-10-01

In the macroscopic simulation of plasmas, the numerical modeler is faced with the challenge of dealing with multiple time and length scales. The former results in stiffness due to the presence of very fast waves. The latter requires one to resolve the localized features that the system develops. Traditional approaches based on explicit time integration techniques and fixed meshes are not suitable for this challenge, as such approaches prevent the modeler from using realistic plasma parameters to keep the computation feasible. We propose here a novel approach, based on implicit methods and structured adaptive mesh refinement (SAMR). Our emphasis is on both accuracy and scalability with the number of degrees of freedom. To our knowledge, a scalable, fully implicit AMR algorithm has not been accomplished before for MHD. As a proof-of-principle, we focus on the reduced resistive MHD model as a basic MHD model paradigm, which is truly multiscale. The approach taken here is to adapt mature physics-based technologyootnotetextL. Chac'on et al., J. Comput. Phys. 178 (1), 15- 36 (2002) to AMR grids, and employ AMR-aware multilevel techniques (such as fast adaptive composite --FAC-- algorithms) for scalability. We will demonstrate that the concept is indeed feasible, featuring optimal scalability under grid refinement. Results of fully-implicit, dynamically-adaptive AMR simulations will be presented on a variety of problems.

The Time Course of Explicit and Implicit Categorization

PubMed Central

Zakrzewski, Alexandria C.; Herberger, Eric; Boomer, Joseph; Roeder, Jessica; Ashby, F. Gregory; Church, Barbara A.

2015-01-01

Contemporary theory in cognitive neuroscience distinguishes, among the processes and utilities that serve categorization, explicit and implicit systems of category learning that learn, respectively, category rules by active hypothesis testing or adaptive behaviors by association and reinforcement. Little is known about the time course of categorization within these systems. Accordingly, the present experiments contrasted tasks that fostered explicit categorization (because they had a one-dimensional, rule-based solution) or implicit categorization (because they had a two-dimensional, information-integration solution). In Experiment 1, participants learned categories under unspeeded or speeded conditions. In Experiment 2, they applied previously trained category knowledge under unspeeded or speeded conditions. Speeded conditions selectively impaired implicit category learning and implicit mature categorization. These results illuminate the processing dynamics of explicit/implicit categorization. PMID:26025556

Function-Space-Based Solution Scheme for the Size-Modified Poisson-Boltzmann Equation in Full-Potential DFT.

PubMed

Ringe, Stefan; Oberhofer, Harald; Hille, Christoph; Matera, Sebastian; Reuter, Karsten

2016-08-09

The size-modified Poisson-Boltzmann (MPB) equation is an efficient implicit solvation model which also captures electrolytic solvent effects. It combines an account of the dielectric solvent response with a mean-field description of solvated finite-sized ions. We present a general solution scheme for the MPB equation based on a fast function-space-oriented Newton method and a Green's function preconditioned iterative linear solver. In contrast to popular multigrid solvers, this approach allows us to fully exploit specialized integration grids and optimized integration schemes. We describe a corresponding numerically efficient implementation for the full-potential density-functional theory (DFT) code FHI-aims. We show that together with an additional Stern layer correction the DFT+MPB approach can describe the mean activity coefficient of a KCl aqueous solution over a wide range of concentrations. The high sensitivity of the calculated activity coefficient on the employed ionic parameters thereby suggests to use extensively tabulated experimental activity coefficients of salt solutions for a systematic parametrization protocol.

Implicit Plasma Kinetic Simulation Using The Jacobian-Free Newton-Krylov Method

NASA Astrophysics Data System (ADS)

Taitano, William; Knoll, Dana; Chacon, Luis

2009-11-01

The use of fully implicit time integration methods in kinetic simulation is still area of algorithmic research. A brute-force approach to simultaneously including the field equations and the particle distribution function would result in an intractable linear algebra problem. A number of algorithms have been put forward which rely on an extrapolation in time. They can be thought of as linearly implicit methods or one-step Newton methods. However, issues related to time accuracy of these methods still remain. We are pursuing a route to implicit plasma kinetic simulation which eliminates extrapolation, eliminates phase-space from the linear algebra problem, and converges the entire nonlinear system within a time step. We accomplish all this using the Jacobian-Free Newton-Krylov algorithm. The original research along these lines considered particle methods to advance the distribution function [1]. In the current research we are advancing the Vlasov equations on a grid. Results will be presented which highlight algorithmic details for single species electrostatic problems and coupled ion-electron electrostatic problems. [4pt] [1] H. J. Kim, L. Chac'on, G. Lapenta, ``Fully implicit particle in cell algorithm,'' 47th Annual Meeting of the Division of Plasma Physics, Oct. 24-28, 2005, Denver, CO

Solvent Reaction Field Potential inside an Uncharged Globular Protein: A Bridge between Implicit and Explicit Solvent Models?

PubMed Central

Baker, Nathan A.; McCammon, J. Andrew

2008-01-01

The solvent reaction field potential of an uncharged protein immersed in Simple Point Charge/Extended (SPC/E) explicit solvent was computed over a series of molecular dynamics trajectories, intotal 1560 ns of simulation time. A finite, positive potential of 13 to 24 kbTec−1 (where T = 300K), dependent on the geometry of the solvent-accessible surface, was observed inside the biomolecule. The primary contribution to this potential arose from a layer of positive charge density 1.0 Å from the solute surface, on average 0.008 ec/Å3, which we found to be the product of a highly ordered first solvation shell. Significant second solvation shell effects, including additional layers of charge density and a slight decrease in the short-range solvent-solvent interaction strength, were also observed. The impact of these findings on implicit solvent models was assessed by running similar explicit-solvent simulations on the fully charged protein system. When the energy due to the solvent reaction field in the uncharged system is accounted for, correlation between per-atom electrostatic energies for the explicit solvent model and a simple implicit (Poisson) calculation is 0.97, and correlation between per-atom energies for the explicit solvent model and a previously published, optimized Poisson model is 0.99. PMID:17949217

Documentation of computer program VS2D to solve the equations of fluid flow in variably saturated porous media

USGS Publications Warehouse

Lappala, E.G.; Healy, R.W.; Weeks, E.P.

1987-01-01

This report documents FORTRAN computer code for solving problems involving variably saturated single-phase flow in porous media. The flow equation is written with total hydraulic potential as the dependent variable, which allows straightforward treatment of both saturated and unsaturated conditions. The spatial derivatives in the flow equation are approximated by central differences, and time derivatives are approximated either by a fully implicit backward or by a centered-difference scheme. Nonlinear conductance and storage terms may be linearized using either an explicit method or an implicit Newton-Raphson method. Relative hydraulic conductivity is evaluated at cell boundaries by using either full upstream weighting, the arithmetic mean, or the geometric mean of values from adjacent cells. Nonlinear boundary conditions treated by the code include infiltration, evaporation, and seepage faces. Extraction by plant roots that is caused by atmospheric demand is included as a nonlinear sink term. These nonlinear boundary and sink terms are linearized implicitly. The code has been verified for several one-dimensional linear problems for which analytical solutions exist and against two nonlinear problems that have been simulated with other numerical models. A complete listing of data-entry requirements and data entry and results for three example problems are provided. (USGS)

Solvent reaction field potential inside an uncharged globular protein: A bridge between implicit and explicit solvent models?

NASA Astrophysics Data System (ADS)

Cerutti, David S.; Baker, Nathan A.; McCammon, J. Andrew

2007-10-01

The solvent reaction field potential of an uncharged protein immersed in simple point charge/extended explicit solvent was computed over a series of molecular dynamics trajectories, in total 1560ns of simulation time. A finite, positive potential of 13-24 kbTec-1 (where T =300K), dependent on the geometry of the solvent-accessible surface, was observed inside the biomolecule. The primary contribution to this potential arose from a layer of positive charge density 1.0Å from the solute surface, on average 0.008ec/Å3, which we found to be the product of a highly ordered first solvation shell. Significant second solvation shell effects, including additional layers of charge density and a slight decrease in the short-range solvent-solvent interaction strength, were also observed. The impact of these findings on implicit solvent models was assessed by running similar explicit solvent simulations on the fully charged protein system. When the energy due to the solvent reaction field in the uncharged system is accounted for, correlation between per-atom electrostatic energies for the explicit solvent model and a simple implicit (Poisson) calculation is 0.97, and correlation between per-atom energies for the explicit solvent model and a previously published, optimized Poisson model is 0.99.

A parallel domain decomposition-based implicit method for the Cahn–Hilliard–Cook phase-field equation in 3D

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

Zheng, Xiang; Yang, Chao; State Key Laboratory of Computer Science, Chinese Academy of Sciences, Beijing 100190

2015-03-15

We present a numerical algorithm for simulating the spinodal decomposition described by the three dimensional Cahn–Hilliard–Cook (CHC) equation, which is a fourth-order stochastic partial differential equation with a noise term. The equation is discretized in space and time based on a fully implicit, cell-centered finite difference scheme, with an adaptive time-stepping strategy designed to accelerate the progress to equilibrium. At each time step, a parallel Newton–Krylov–Schwarz algorithm is used to solve the nonlinear system. We discuss various numerical and computational challenges associated with the method. The numerical scheme is validated by a comparison with an explicit scheme of high accuracymore » (and unreasonably high cost). We present steady state solutions of the CHC equation in two and three dimensions. The effect of the thermal fluctuation on the spinodal decomposition process is studied. We show that the existence of the thermal fluctuation accelerates the spinodal decomposition process and that the final steady morphology is sensitive to the stochastic noise. We also show the evolution of the energies and statistical moments. In terms of the parallel performance, it is found that the implicit domain decomposition approach scales well on supercomputers with a large number of processors.« less

Implementation of an improved adaptive-implicit method in a thermal compositional simulator

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

Tan, T.B.

1988-11-01

A multicomponent thermal simulator with an adaptive-implicit-method (AIM) formulation/inexact-adaptive-Newton (IAN) method is presented. The final coefficient matrix retains the original banded structure so that conventional iterative methods can be used. Various methods for selection of the eliminated unknowns are tested. AIM/IAN method has a lower work count per Newtonian iteration than fully implicit methods, but a wrong choice of unknowns will result in excessive Newtonian iterations. For the problems tested, the residual-error method described in the paper for selecting implicit unknowns, together with the IAN method, had an improvement of up to 28% of the CPU time over the fullymore » implicit method.« less

Recovery Discontinuous Galerkin Jacobian-free Newton-Krylov Method for all-speed flows

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

HyeongKae Park; Robert Nourgaliev; Vincent Mousseau

2008-07-01

There is an increasing interest to develop the next generation simulation tools for the advanced nuclear energy systems. These tools will utilize the state-of-art numerical algorithms and computer science technology in order to maximize the predictive capability, support advanced reactor designs, reduce uncertainty and increase safety margins. In analyzing nuclear energy systems, we are interested in compressible low-Mach number, high heat flux flows with a wide range of Re, Ra, and Pr numbers. Under these conditions, the focus is placed on turbulent heat transfer, in contrast to other industries whose main interest is in capturing turbulent mixing. Our objective ismore » to develop singlepoint turbulence closure models for large-scale engineering CFD code, using Direct Numerical Simulation (DNS) or Large Eddy Simulation (LES) tools, requireing very accurate and efficient numerical algorithms. The focus of this work is placed on fully-implicit, high-order spatiotemporal discretization based on the discontinuous Galerkin method solving the conservative form of the compressible Navier-Stokes equations. The method utilizes a local reconstruction procedure derived from weak formulation of the problem, which is inspired by the recovery diffusion flux algorithm of van Leer and Nomura [?] and by the piecewise parabolic reconstruction [?] in the finite volume method. The developed methodology is integrated into the Jacobianfree Newton-Krylov framework [?] to allow a fully-implicit solution of the problem.« less

Solution of partial differential equations on vector and parallel computers

NASA Technical Reports Server (NTRS)

Ortega, J. M.; Voigt, R. G.

1985-01-01

The present status of numerical methods for partial differential equations on vector and parallel computers was reviewed. The relevant aspects of these computers are discussed and a brief review of their development is included, with particular attention paid to those characteristics that influence algorithm selection. Both direct and iterative methods are given for elliptic equations as well as explicit and implicit methods for initial boundary value problems. The intent is to point out attractive methods as well as areas where this class of computer architecture cannot be fully utilized because of either hardware restrictions or the lack of adequate algorithms. Application areas utilizing these computers are briefly discussed.

Aerodynamic Design on Unstructured Grids for Turbulent Flows

NASA Technical Reports Server (NTRS)

Anderson, W. Kyle; Bonhaus, Daryl L.

1997-01-01

An aerodynamic design algorithm for turbulent flows using unstructured grids is described. The current approach uses adjoint (costate) variables for obtaining derivatives of the cost function. The solution of the adjoint equations is obtained using an implicit formulation in which the turbulence model is fully coupled with the flow equations when solving for the costate variables. The accuracy of the derivatives is demonstrated by comparison with finite-difference gradients and a few example computations are shown. In addition, a user interface is described which significantly reduces the time required for setting up the design problems. Recommendations on directions of further research into the Navier Stokes design process are made.

Development of an Implicit, Charge and Energy Conserving 2D Electromagnetic PIC Code on Advanced Architectures

NASA Astrophysics Data System (ADS)

Payne, Joshua; Taitano, William; Knoll, Dana; Liebs, Chris; Murthy, Karthik; Feltman, Nicolas; Wang, Yijie; McCarthy, Colleen; Cieren, Emanuel

2012-10-01

In order to solve problems such as the ion coalescence and slow MHD shocks fully kinetically we developed a fully implicit 2D energy and charge conserving electromagnetic PIC code, PlasmaApp2D. PlasmaApp2D differs from previous implicit PIC implementations in that it will utilize advanced architectures such as GPUs and shared memory CPU systems, with problems too large to fit into cache. PlasmaApp2D will be a hybrid CPU-GPU code developed primarily to run on the DARWIN cluster at LANL utilizing four 12-core AMD Opteron CPUs and two NVIDIA Tesla GPUs per node. MPI will be used for cross-node communication, OpenMP will be used for on-node parallelism, and CUDA will be used for the GPUs. Development progress and initial results will be presented.

PIXIE3D: A Parallel, Implicit, eXtended MHD 3D Code

NASA Astrophysics Data System (ADS)

Chacon, Luis

2006-10-01

We report on the development of PIXIE3D, a 3D parallel, fully implicit Newton-Krylov extended MHD code in general curvilinear geometry. PIXIE3D employs a second-order, finite-volume-based spatial discretization that satisfies remarkable properties such as being conservative, solenoidal in the magnetic field to machine precision, non-dissipative, and linearly and nonlinearly stable in the absence of physical dissipation. PIXIE3D employs fully-implicit Newton-Krylov methods for the time advance. Currently, second-order implicit schemes such as Crank-Nicolson and BDF2 (2^nd order backward differentiation formula) are available. PIXIE3D is fully parallel (employs PETSc for parallelism), and exhibits excellent parallel scalability. A parallel, scalable, MG preconditioning strategy, based on physics-based preconditioning ideas, has been developed for resistive MHD, and is currently being extended to Hall MHD. In this poster, we will report on progress in the algorithmic formulation for extended MHD, as well as the the serial and parallel performance of PIXIE3D in a variety of problems and geometries. L. Chac'on, Comput. Phys. Comm., 163 (3), 143-171 (2004) L. Chac'on et al., J. Comput. Phys. 178 (1), 15- 36 (2002); J. Comput. Phys., 188 (2), 573-592 (2003) L. Chac'on, 32nd EPS Conf. Plasma Physics, Tarragona, Spain, 2005 L. Chac'on et al., 33rd EPS Conf. Plasma Physics, Rome, Italy, 2006

PIXIE3D: A Parallel, Implicit, eXtended MHD 3D Code.

NASA Astrophysics Data System (ADS)

Chacon, L.; Knoll, D. A.

2004-11-01

We report on the development of PIXIE3D, a 3D parallel, fully implicit Newton-Krylov extended primitive-variable MHD code in general curvilinear geometry. PIXIE3D employs a second-order, finite-volume-based spatial discretization that satisfies remarkable properties such as being conservative, solenoidal in the magnetic field, non-dissipative, and stable in the absence of physical dissipation.(L. Chacón , phComput. Phys. Comm.) submitted (2004) PIXIE3D employs fully-implicit Newton-Krylov methods for the time advance. Currently, first and second-order implicit schemes are available, although higher-order temporal implicit schemes can be effortlessly implemented within the Newton-Krylov framework. A successful, scalable, MG physics-based preconditioning strategy, similar in concept to previous 2D MHD efforts,(L. Chacón et al., phJ. Comput. Phys). 178 (1), 15- 36 (2002); phJ. Comput. Phys., 188 (2), 573-592 (2003) has been developed. We are currently in the process of parallelizing the code using the PETSc library, and a Newton-Krylov-Schwarz approach for the parallel treatment of the preconditioner. In this poster, we will report on both the serial and parallel performance of PIXIE3D, focusing primarily on scalability and CPU speedup vs. an explicit approach.

Implicit versus explicit momentum relaxation time solution for semiconductor nanowires

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

Marin, E. G., E-mail: egmarin@ugr.es; Ruiz, F. G., E-mail: franruiz@ugr.es; Godoy, A., E-mail: agodoy@ugr.es

2015-07-14

We discuss the necessity of the exact implicit Momentum Relaxation Time (MRT) solution of the Boltzmann transport equation in order to achieve reliable carrier mobility results in semiconductor nanowires. Firstly, the implicit solution for a 1D electron gas with a isotropic bandstructure is presented resulting in the formulation of a simple matrix system. Using this solution as a reference, the explicit approach is demonstrated to be inaccurate for the calculation of inelastic anisotropic mechanisms such as polar optical phonons, characteristic of III-V materials. Its validity for elastic and isotropic mechanisms is also evaluated. Finally, the implications of the MRT explicitmore » approach inaccuracies on the total mobility of Si and III-V NWs are studied.« less

A new solution method for wheel/rail rolling contact.

PubMed

Yang, Jian; Song, Hua; Fu, Lihua; Wang, Meng; Li, Wei

2016-01-01

To solve the problem of wheel/rail rolling contact of nonlinear steady-state curving, a three-dimensional transient finite element (FE) model is developed by the explicit software ANSYS/LS-DYNA. To improve the solving speed and efficiency, an explicit-explicit order solution method is put forward based on analysis of the features of implicit and explicit algorithm. The solution method was first applied to calculate the pre-loading of wheel/rail rolling contact with explicit algorithm, and then the results became the initial conditions in solving the dynamic process of wheel/rail rolling contact with explicit algorithm as well. Simultaneously, the common implicit-explicit order solution method is used to solve the FE model. Results show that the explicit-explicit order solution method has faster operation speed and higher efficiency than the implicit-explicit order solution method while the solution accuracy is almost the same. Hence, the explicit-explicit order solution method is more suitable for the wheel/rail rolling contact model with large scale and high nonlinearity.

Fluid preconditioning for Newton–Krylov-based, fully implicit, electrostatic particle-in-cell simulations

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

Chen, G., E-mail: gchen@lanl.gov; Chacón, L.; Leibs, C.A.

2014-02-01

A recent proof-of-principle study proposes an energy- and charge-conserving, nonlinearly implicit electrostatic particle-in-cell (PIC) algorithm in one dimension [9]. The algorithm in the reference employs an unpreconditioned Jacobian-free Newton–Krylov method, which ensures nonlinear convergence at every timestep (resolving the dynamical timescale of interest). Kinetic enslavement, which is one key component of the algorithm, not only enables fully implicit PIC as a practical approach, but also allows preconditioning the kinetic solver with a fluid approximation. This study proposes such a preconditioner, in which the linearized moment equations are closed with moments computed from particles. Effective acceleration of the linear GMRES solvemore » is demonstrated, on both uniform and non-uniform meshes. The algorithm performance is largely insensitive to the electron–ion mass ratio. Numerical experiments are performed on a 1D multi-scale ion acoustic wave test problem.« less

Explicit ions/implicit water generalized Born model for nucleic acids

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

Tolokh, Igor S.; Thomas, Dennis G.; Onufriev, Alexey V.

Ion atmosphere around highly charged nucleic acid molecules plays a significant role in their dynamics, structure and interactions. Here we utilized the implicit solvent framework to develop a model for the explicit treatment of ions interacting with nucleic acid molecules. The proposed explicit ions/implicit water model is based on a significantly modified generalized Born (GB) model, and utilizes a non-standard approach to defining the solute/solvent dielectric boundary. Specifically, the model includes modifications to the GB interaction terms for the case of multiple interacting solutes – disconnected dielectric boundary around the solute-ion or ion-ion pairs. Fully analytical description of all energymore » components for charge-charge interactions is provided. The effectiveness of the approach is demonstrated by calculating the potential of mean force (PMF) for Na+-Cl− ion pair and by carrying out a set of Monte Carlo (MC) simulations of mono- and trivalent ions interacting with DNA and RNA duplexes. The monovalent (Na+) and trivalent (CoHex3+) counterion distributions predicted by the model are in close quantitative agreement with all-atom explicit water molecular dynamics simulations used as reference. Expressed in the units of energy, the maximum deviations of local ion concentrations from the reference are within kBT. The proposed explicit ions/implicit water GB model is able to resolve subtle features and differences of CoHex distributions around DNA and RNA duplexes. These features include preferential CoHex binding inside the major groove of RNA duplex, in contrast to CoHex biding at the "external" surface of the sugar-phosphate backbone of DNA duplex; these differences in the counterion binding patters were shown earlier to be responsible for the observed drastic differences in condensation propensities between short DNA and RNA duplexes. MC simulations of CoHex ions interacting with homopolymeric poly(dA·dT) DNA duplex with modified (de-methylated) and native Thymine bases are used to explore the physics behind CoHex-Thymine interactions. The simulations suggest that the ion desolvation penalty due to proximity to the low dielectric volume of the methyl group can contribute significantly to CoHex-Thymine interactions. Compared to the steric repulsion between the ion and the methyl group, the desolvation penalty interaction has a longer range, and may be important to consider in the context of methylation effects on DNA condensation.« less

a Speculative Study on Negative-Dimensional Potential and Wave Problems by Implicit Calculus Modeling Approach

NASA Astrophysics Data System (ADS)

Chen, Wen; Wang, Fajie

Based on the implicit calculus equation modeling approach, this paper proposes a speculative concept of the potential and wave operators on negative dimensionality. Unlike the standard partial differential equation (PDE) modeling, the implicit calculus modeling approach does not require the explicit expression of the PDE governing equation. Instead the fundamental solution of physical problem is used to implicitly define the differential operator and to implement simulation in conjunction with the appropriate boundary conditions. In this study, we conjecture an extension of the fundamental solution of the standard Laplace and Helmholtz equations to negative dimensionality. And then by using the singular boundary method, a recent boundary discretization technique, we investigate the potential and wave problems using the fundamental solution on negative dimensionality. Numerical experiments reveal that the physics behaviors on negative dimensionality may differ on positive dimensionality. This speculative study might open an unexplored territory in research.

Action Being Character: A Promising Perspective on the Solution Concept of Game Theory

PubMed Central

Deng, Kuiying; Chu, Tianguang

2011-01-01

The inconsistency of predictions from solution concepts of conventional game theory with experimental observations is an enduring question. These solution concepts are based on the canonical rationality assumption that people are exclusively self-regarding utility maximizers. In this article, we think this assumption is problematic and, instead, assume that rational economic agents act as if they were maximizing their implicit utilities, which turns out to be a natural extension of the canonical rationality assumption. Implicit utility is defined by a player's character to reflect his personal weighting between cooperative, individualistic, and competitive social value orientations. The player who actually faces an implicit game chooses his strategy based on the common belief about the character distribution for a general player and the self-estimation of his own character, and he is not concerned about which strategies other players will choose and will never feel regret about his decision. It is shown by solving five paradigmatic games, the Dictator game, the Ultimatum game, the Prisoner's Dilemma game, the Public Goods game, and the Battle of the Sexes game, that the framework of implicit game and its corresponding solution concept, implicit equilibrium, based on this alternative assumption have potential for better explaining people's actual behaviors in social decision making situations. PMID:21573055

Action being character: a promising perspective on the solution concept of game theory.

PubMed

Deng, Kuiying; Chu, Tianguang

2011-05-09

The inconsistency of predictions from solution concepts of conventional game theory with experimental observations is an enduring question. These solution concepts are based on the canonical rationality assumption that people are exclusively self-regarding utility maximizers. In this article, we think this assumption is problematic and, instead, assume that rational economic agents act as if they were maximizing their implicit utilities, which turns out to be a natural extension of the canonical rationality assumption. Implicit utility is defined by a player's character to reflect his personal weighting between cooperative, individualistic, and competitive social value orientations. The player who actually faces an implicit game chooses his strategy based on the common belief about the character distribution for a general player and the self-estimation of his own character, and he is not concerned about which strategies other players will choose and will never feel regret about his decision. It is shown by solving five paradigmatic games, the Dictator game, the Ultimatum game, the Prisoner's Dilemma game, the Public Goods game, and the Battle of the Sexes game, that the framework of implicit game and its corresponding solution concept, implicit equilibrium, based on this alternative assumption have potential for better explaining people's actual behaviors in social decision making situations.

A fully implicit Hall MHD algorithm based on the ion Ohm's law

NASA Astrophysics Data System (ADS)

Chacón, Luis

2010-11-01

Hall MHD is characterized by extreme hyperbolic numerical stiffness stemming from fast dispersive waves. Implicit algorithms are potentially advantageous, but of very difficult efficient implementation due to the condition numbers of associated matrices. Here, we explore the extension of a successful fully implicit, fully nonlinear algorithm for resistive MHD,ootnotetextL. Chac'on, Phys. Plasmas, 15 (2008) based on Jacobian-free Newton-Krylov methods with physics-based preconditioning, to Hall MHD. Traditionally, Hall MHD has been formulated using the electron equation of motion (EOM) to determine the electric field in the plasma (the so-called Ohm's law). However, given that the center-of-mass EOM, the ion EOM, and the electron EOM are linearly dependent, one could equivalently employ the ion EOM as the Ohm's law for a Hall MHD formulation. While, from a physical standpoint, there is no a priori advantage for using one Ohm's law vs. the other, we argue in this poster that there is an algorithmic one. We will show that, while the electron Ohm's law prevents the extension of the resistive MHD preconditioning strategy to Hall MHD, an ion Ohm's law allows it trivially. Verification and performance numerical results on relevant problems will be presented.

Implicitly solving phase appearance and disappearance problems using two-fluid six-equation model

DOE PAGES

Zou, Ling; Zhao, Haihua; Zhang, Hongbin

2016-01-25

Phase appearance and disappearance issue presents serious numerical challenges in two-phase flow simulations using the two-fluid six-equation model. Numerical challenges arise from the singular equation system when one phase is absent, as well as from the discontinuity in the solution space when one phase appears or disappears. In this work, a high-resolution spatial discretization scheme on staggered grids and fully implicit methods were applied for the simulation of two-phase flow problems using the two-fluid six-equation model. A Jacobian-free Newton-Krylov (JFNK) method was used to solve the discretized nonlinear problem. An improved numerical treatment was proposed and proved to be effectivemore » to handle the numerical challenges. The treatment scheme is conceptually simple, easy to implement, and does not require explicit truncations on solutions, which is essential to conserve mass and energy. Various types of phase appearance and disappearance problems relevant to thermal-hydraulics analysis have been investigated, including a sedimentation problem, an oscillating manometer problem, a non-condensable gas injection problem, a single-phase flow with heat addition problem and a subcooled flow boiling problem. Successful simulations of these problems demonstrate the capability and robustness of the proposed numerical methods and numerical treatments. As a result, volume fraction of the absent phase can be calculated effectively as zero.« less

Calculation of three-dimensional (3-D) internal flow by means of the velocity-vorticity formulation on a staggered grid

NASA Technical Reports Server (NTRS)

Stremel, Paul M.

1995-01-01

A method has been developed to accurately compute the viscous flow in three-dimensional (3-D) enclosures. This method is the 3-D extension of a two-dimensional (2-D) method developed for the calculation of flow over airfoils. The 2-D method has been tested extensively and has been shown to accurately reproduce experimental results. As in the 2-D method, the 3-D method provides for the non-iterative solution of the incompressible Navier-Stokes equations by means of a fully coupled implicit technique. The solution is calculated on a body fitted computational mesh incorporating a staggered grid methodology. In the staggered grid method, the three components of vorticity are defined at the centers of the computational cell sides, while the velocity components are defined as normal vectors at the centers of the computational cell faces. The staggered grid orientation provides for the accurate definition of the vorticity components at the vorticity locations, the divergence of vorticity at the mesh cell nodes and the conservation of mass at the mesh cell centers. The solution is obtained by utilizing a fractional step solution technique in the three coordinate directions. The boundary conditions for the vorticity and velocity are calculated implicitly as part of the solution. The method provides for the non-iterative solution of the flow field and satisfies the conservation of mass and divergence of vorticity to machine zero at each time step. To test the method, the calculation of simple driven cavity flows have been computed. The driven cavity flow is defined as the flow in an enclosure driven by a moving upper plate at the top of the enclosure. To demonstrate the ability of the method to predict the flow in arbitrary cavities, results will he shown for both cubic and curved cavities.

Global Asymptotic Behavior of Iterative Implicit Schemes

NASA Technical Reports Server (NTRS)

Yee, H. C.; Sweby, P. K.

1994-01-01

The global asymptotic nonlinear behavior of some standard iterative procedures in solving nonlinear systems of algebraic equations arising from four implicit linear multistep methods (LMMs) in discretizing three models of 2 x 2 systems of first-order autonomous nonlinear ordinary differential equations (ODEs) is analyzed using the theory of dynamical systems. The iterative procedures include simple iteration and full and modified Newton iterations. The results are compared with standard Runge-Kutta explicit methods, a noniterative implicit procedure, and the Newton method of solving the steady part of the ODEs. Studies showed that aside from exhibiting spurious asymptotes, all of the four implicit LMMs can change the type and stability of the steady states of the differential equations (DEs). They also exhibit a drastic distortion but less shrinkage of the basin of attraction of the true solution than standard nonLMM explicit methods. The simple iteration procedure exhibits behavior which is similar to standard nonLMM explicit methods except that spurious steady-state numerical solutions cannot occur. The numerical basins of attraction of the noniterative implicit procedure mimic more closely the basins of attraction of the DEs and are more efficient than the three iterative implicit procedures for the four implicit LMMs. Contrary to popular belief, the initial data using the Newton method of solving the steady part of the DEs may not have to be close to the exact steady state for convergence. These results can be used as an explanation for possible causes and cures of slow convergence and nonconvergence of steady-state numerical solutions when using an implicit LMM time-dependent approach in computational fluid dynamics.

A Coupled Multiphysics Approach for Simulating Induced Seismicity, Ground Acceleration and Structural Damage

NASA Astrophysics Data System (ADS)

Podgorney, Robert; Coleman, Justin; Wilkins, Amdrew; Huang, Hai; Veeraraghavan, Swetha; Xia, Yidong; Permann, Cody

2017-04-01

Numerical modeling has played an important role in understanding the behavior of coupled subsurface thermal-hydro-mechanical (THM) processes associated with a number of energy and environmental applications since as early as the 1970s. While the ability to rigorously describe all key tightly coupled controlling physics still remains a challenge, there have been significant advances in recent decades. These advances are related primarily to the exponential growth of computational power, the development of more accurate equations of state, improvements in the ability to represent heterogeneity and reservoir geometry, and more robust nonlinear solution schemes. The work described in this paper documents the development and linkage of several fully-coupled and fully-implicit modeling tools. These tools simulate: (1) the dynamics of fluid flow, heat transport, and quasi-static rock mechanics; (2) seismic wave propagation from the sources of energy release through heterogeneous material; and (3) the soil-structural damage resulting from ground acceleration. These tools are developed in Idaho National Laboratory's parallel Multiphysics Object Oriented Simulation Environment, and are integrated together using a global implicit approach. The governing equations are presented, the numerical approach for simultaneously solving and coupling the three coupling physics tools is discussed, and the data input and output methodology is outlined. An example is presented to demonstrate the capabilities of the coupled multiphysics approach. The example involves simulating a system conceptually similar to the geothermal development in Basel Switzerland, and the resultant induced seismicity, ground motion and structural damage is predicted.

Alternating Direction Implicit (ADI) schemes for a PDE-based image osmosis model

NASA Astrophysics Data System (ADS)

Calatroni, L.; Estatico, C.; Garibaldi, N.; Parisotto, S.

2017-10-01

We consider Alternating Direction Implicit (ADI) splitting schemes to compute efficiently the numerical solution of the PDE osmosis model considered by Weickert et al. in [10] for several imaging applications. The discretised scheme is shown to preserve analogous properties to the continuous model. The dimensional splitting strategy traduces numerically into the solution of simple tridiagonal systems for which standard matrix factorisation techniques can be used to improve upon the performance of classical implicit methods, even for large time steps. Applications to the shadow removal problem are presented.

NUEN-618 Class Project: Actually Implicit Monte Carlo

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

Vega, R. M.; Brunner, T. A.

2017-12-14

This research describes a new method for the solution of the thermal radiative transfer (TRT) equations that is implicit in time which will be called Actually Implicit Monte Carlo (AIMC). This section aims to introduce the TRT equations, as well as the current workhorse method which is known as Implicit Monte Carlo (IMC). As the name of the method proposed here indicates, IMC is a misnomer in that it is only semi-implicit, which will be shown in this section as well.

Evaluation of the eigenvalue method in the solution of transient heat conduction problems

NASA Astrophysics Data System (ADS)

Landry, D. W.

1985-01-01

The eigenvalue method is evaluated to determine the advantages and disadvantages of the method as compared to fully explicit, fully implicit, and Crank-Nicolson methods. Time comparisons and accuracy comparisons are made in an effort to rank the eigenvalue method in relation to the comparison schemes. The eigenvalue method is used to solve the parabolic heat equation in multidimensions with transient temperatures. Extensions into three dimensions are made to determine the method's feasibility in handling large geometry problems requiring great numbers of internal mesh points. The eigenvalue method proves to be slightly better in accuracy than the comparison routines because of an exact treatment, as opposed to a numerical approximation, of the time derivative in the heat equation. It has the potential of being a very powerful routine in solving long transient type problems. The method is not well suited to finely meshed grid arrays or large regions because of the time and memory requirements necessary for calculating large sets of eigenvalues and eigenvectors.

A curvilinear, fully implicit, conservative electromagnetic PIC algorithm in multiple dimensions

DOE PAGES

Chacon, L.; Chen, G.

2016-04-19

Here, we extend a recently proposed fully implicit PIC algorithm for the Vlasov–Darwin model in multiple dimensions (Chen and Chacón (2015) [1]) to curvilinear geometry. As in the Cartesian case, the approach is based on a potential formulation (Φ, A), and overcomes many difficulties of traditional semi-implicit Darwin PIC algorithms. Conservation theorems for local charge and global energy are derived in curvilinear representation, and then enforced discretely by a careful choice of the discretization of field and particle equations. Additionally, the algorithm conserves canonical-momentum in any ignorable direction, and preserves the Coulomb gauge ∇ • A = 0 exactly. Anmore » asymptotically well-posed fluid preconditioner allows efficient use of large cell sizes, which are determined by accuracy considerations, not stability, and can be orders of magnitude larger than required in a standard explicit electromagnetic PIC simulation. We demonstrate the accuracy and efficiency properties of the algorithm with numerical experiments in mapped meshes in 1D-3V and 2D-3V.« less

A curvilinear, fully implicit, conservative electromagnetic PIC algorithm in multiple dimensions

NASA Astrophysics Data System (ADS)

Chacón, L.; Chen, G.

2016-07-01

We extend a recently proposed fully implicit PIC algorithm for the Vlasov-Darwin model in multiple dimensions (Chen and Chacón (2015) [1]) to curvilinear geometry. As in the Cartesian case, the approach is based on a potential formulation (ϕ, A), and overcomes many difficulties of traditional semi-implicit Darwin PIC algorithms. Conservation theorems for local charge and global energy are derived in curvilinear representation, and then enforced discretely by a careful choice of the discretization of field and particle equations. Additionally, the algorithm conserves canonical-momentum in any ignorable direction, and preserves the Coulomb gauge ∇ ṡ A = 0 exactly. An asymptotically well-posed fluid preconditioner allows efficient use of large cell sizes, which are determined by accuracy considerations, not stability, and can be orders of magnitude larger than required in a standard explicit electromagnetic PIC simulation. We demonstrate the accuracy and efficiency properties of the algorithm with numerical experiments in mapped meshes in 1D-3V and 2D-3V.

A curvilinear, fully implicit, conservative electromagnetic PIC algorithm in multiple dimensions

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

Chacon, L.; Chen, G.

Here, we extend a recently proposed fully implicit PIC algorithm for the Vlasov–Darwin model in multiple dimensions (Chen and Chacón (2015) [1]) to curvilinear geometry. As in the Cartesian case, the approach is based on a potential formulation (Φ, A), and overcomes many difficulties of traditional semi-implicit Darwin PIC algorithms. Conservation theorems for local charge and global energy are derived in curvilinear representation, and then enforced discretely by a careful choice of the discretization of field and particle equations. Additionally, the algorithm conserves canonical-momentum in any ignorable direction, and preserves the Coulomb gauge ∇ • A = 0 exactly. Anmore » asymptotically well-posed fluid preconditioner allows efficient use of large cell sizes, which are determined by accuracy considerations, not stability, and can be orders of magnitude larger than required in a standard explicit electromagnetic PIC simulation. We demonstrate the accuracy and efficiency properties of the algorithm with numerical experiments in mapped meshes in 1D-3V and 2D-3V.« less

Towards full-Braginskii implicit extended MHD

NASA Astrophysics Data System (ADS)

Chacon, Luis

2009-05-01

Recently, viable algorithms have been proposed for the scalable, fully-implicit temporal integration of 3D resistive MHD and cold-ion extended MHD models. While significant, these achievements must be tempered by the fact that such models lack predictive capabilities in regimes of interest for magnetic fusion. Short of including kinetic closures, a natural evolution path towards predictability starts by considering additional terms as described in Braginskii's fluid closures in the collisional regime. Here, we focus on the inclusion of two fundamental elements of relevance for fusion plasmas: anisotropic parallel electron transport, and warm-ion physics (i.e., ion finite Larmor radius effects, included via gyroviscosity). Both these elements introduce significant numerical difficulties, due to the strong anisotropy in the former, and the presence of dispersive waves in the latter. In this presentation, we will discuss progress in our fully implicit algorithmic formulation towards the inclusion of both these elements. L. Chac'on, Phys. Plasmas, 15, 056103 (2008) L. Chac'on, J. Physics: Conf. Series, 125, 012041 (2008)

Implicit time-integration method for simultaneous solution of a coupled non-linear system

NASA Astrophysics Data System (ADS)

Watson, Justin Kyle

Historically large physical problems have been divided into smaller problems based on the physics involved. This is no different in reactor safety analysis. The problem of analyzing a nuclear reactor for design basis accidents is performed by a handful of computer codes each solving a portion of the problem. The reactor thermal hydraulic response to an event is determined using a system code like TRAC RELAP Advanced Computational Engine (TRACE). The core power response to the same accident scenario is determined using a core physics code like Purdue Advanced Core Simulator (PARCS). Containment response to the reactor depressurization in a Loss Of Coolant Accident (LOCA) type event is calculated by a separate code. Sub-channel analysis is performed with yet another computer code. This is just a sample of the computer codes used to solve the overall problems of nuclear reactor design basis accidents. Traditionally each of these codes operates independently from each other using only the global results from one calculation as boundary conditions to another. Industry's drive to uprate power for reactors has motivated analysts to move from a conservative approach to design basis accident towards a best estimate method. To achieve a best estimate calculation efforts have been aimed at coupling the individual physics models to improve the accuracy of the analysis and reduce margins. The current coupling techniques are sequential in nature. During a calculation time-step data is passed between the two codes. The individual codes solve their portion of the calculation and converge to a solution before the calculation is allowed to proceed to the next time-step. This thesis presents a fully implicit method of simultaneous solving the neutron balance equations, heat conduction equations and the constitutive fluid dynamics equations. It discusses the problems involved in coupling different physics phenomena within multi-physics codes and presents a solution to these problems. The thesis also outlines the basic concepts behind the nodal balance equations, heat transfer equations and the thermal hydraulic equations, which will be coupled to form a fully implicit nonlinear system of equations. The coupling of separate physics models to solve a larger problem and improve accuracy and efficiency of a calculation is not a new idea, however implementing them in an implicit manner and solving the system simultaneously is. Also the application to reactor safety codes is new and has not be done with thermal hydraulics and neutronics codes on realistic applications in the past. The coupling technique described in this thesis is applicable to other similar coupled thermal hydraulic and core physics reactor safety codes. This technique is demonstrated using coupled input decks to show that the system is solved correctly and then verified by using two derivative test problems based on international benchmark problems the OECD/NRC Three mile Island (TMI) Main Steam Line Break (MSLB) problem (representative of pressurized water reactor analysis) and the OECD/NRC Peach Bottom (PB) Turbine Trip (TT) benchmark (representative of boiling water reactor analysis).

Fully Implict Magneto-hydrodynamics Simulations of Coaxial Plasma Accelerators

DOE PAGES

Subramaniam, Vivek; Raja, Laxminarayan L.

2017-01-05

The resistive Magneto-Hydrodynamic (MHD) model describes the behavior of a strongly ionized plasma in the presence of external electric and magnetic fields. We developed a fully implicit MHD simulation tool to solve the resistive MHD governing equations in the context of a cell-centered finite-volume scheme. The primary objective of this study is to use the fully-implicit algorithm to obtain insights into the plasma acceleration and jet formation processes in Coaxial Plasma accelerators; electromagnetic acceleration devices that utilize self-induced magnetic fields to accelerate thermal plasmas to large velocities. We also carry out plasma-surface simulations in order to study the impact interactionsmore » when these high velocity plasma jets impinge on target material surfaces. Scaling studies are carried out to establish some basic functional relationships between the target-stagnation conditions and the current discharged between the coaxial electrodes.« less

Optimal implicit 2-D finite differences to model wave propagation in poroelastic media

NASA Astrophysics Data System (ADS)

Itzá, Reymundo; Iturrarán-Viveros, Ursula; Parra, Jorge O.

2016-08-01

Numerical modeling of seismic waves in heterogeneous porous reservoir rocks is an important tool for the interpretation of seismic surveys in reservoir engineering. We apply globally optimal implicit staggered-grid finite differences (FD) to model 2-D wave propagation in heterogeneous poroelastic media at a low-frequency range (<10 kHz). We validate the numerical solution by comparing it to an analytical-transient solution obtaining clear seismic wavefields including fast P and slow P and S waves (for a porous media saturated with fluid). The numerical dispersion and stability conditions are derived using von Neumann analysis, showing that over a wide range of porous materials the Courant condition governs the stability and this optimal implicit scheme improves the stability of explicit schemes. High-order explicit FD can be replaced by some lower order optimal implicit FD so computational cost will not be as expensive while maintaining the accuracy. Here, we compute weights for the optimal implicit FD scheme to attain an accuracy of γ = 10-8. The implicit spatial differentiation involves solving tridiagonal linear systems of equations through Thomas' algorithm.

Implicit Priors in Galaxy Cluster Mass and Scaling Relation Determinations

NASA Technical Reports Server (NTRS)

Mantz, A.; Allen, S. W.

2011-01-01

Deriving the total masses of galaxy clusters from observations of the intracluster medium (ICM) generally requires some prior information, in addition to the assumptions of hydrostatic equilibrium and spherical symmetry. Often, this information takes the form of particular parametrized functions used to describe the cluster gas density and temperature profiles. In this paper, we investigate the implicit priors on hydrostatic masses that result from this fully parametric approach, and the implications of such priors for scaling relations formed from those masses. We show that the application of such fully parametric models of the ICM naturally imposes a prior on the slopes of the derived scaling relations, favoring the self-similar model, and argue that this prior may be influential in practice. In contrast, this bias does not exist for techniques which adopt an explicit prior on the form of the mass profile but describe the ICM non-parametrically. Constraints on the slope of the cluster mass-temperature relation in the literature show a separation based the approach employed, with the results from fully parametric ICM modeling clustering nearer the self-similar value. Given that a primary goal of scaling relation analyses is to test the self-similar model, the application of methods subject to strong, implicit priors should be avoided. Alternative methods and best practices are discussed.

Can we undo our first impressions?: The role of reinterpretation in reversing implicit evaluations

PubMed Central

Mann, Thomas C.; Ferguson, Melissa J.

2015-01-01

Little work has examined whether implicit evaluations can be effectively “undone” after learning new revelations. Across 7 experiments, participants fully reversed their implicit evaluation of a novel target person after reinterpreting earlier information. Revision occurred across multiple implicit evaluation measures (Experiments 1a and 1b), and only when the new information prompted a reinterpretation of prior learning versus did not (Experiment 2). The updating required active consideration of the information, as it emerged only with at least moderate cognitive resources (Experiment 3). Self-reported reinterpretation predicted (Experiment 4) and mediated (Experiment 5) revised implicit evaluations beyond the separate influence of how thoughtfully participants considered the new information in general. Finally, the revised evaluations were durable three days later (Experiment 6). We discuss how these results inform existing theoretical models, and consider implications for future research. PMID:25798625

Can we undo our first impressions? The role of reinterpretation in reversing implicit evaluations.

PubMed

Mann, Thomas C; Ferguson, Melissa J

2015-06-01

Little work has examined whether implicit evaluations can be effectively "undone" after learning new revelations. Across 7 experiments, participants fully reversed their implicit evaluation of a novel target person after reinterpreting earlier information. Revision occurred across multiple implicit evaluation measures (Experiments 1a and 1b), and only when the new information prompted a reinterpretation of prior learning versus did not (Experiment 2). The updating required active consideration of the information, as it emerged only with at least moderate cognitive resources (Experiment 3). Self-reported reinterpretation predicted (Experiment 4) and mediated (Experiment 5) revised implicit evaluations beyond the separate influence of how thoughtfully participants considered the new information in general. Finally, the revised evaluations were durable 3 days later (Experiment 6). We discuss how these results inform existing theoretical models, and consider implications for future research. (c) 2015 APA, all rights reserved).

Implicit SPH v. 1.0

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

Kim, Kyungjoo; Parks, Michael L.; Perego, Mauro

2016-11-09

ISPH code is developed to solve multi-physics meso-scale flow problems using implicit SPH method. In particular, the code can provides solutions for incompressible, multi phase flow and electro-kinetic flows.

Fully coupled approach to modeling shallow water flow, sediment transport, and bed evolution in rivers

NASA Astrophysics Data System (ADS)

Li, Shuangcai; Duffy, Christopher J.

2011-03-01

Our ability to predict complex environmental fluid flow and transport hinges on accurate and efficient simulations of multiple physical phenomenon operating simultaneously over a wide range of spatial and temporal scales, including overbank floods, coastal storm surge events, drying and wetting bed conditions, and simultaneous bed form evolution. This research implements a fully coupled strategy for solving shallow water hydrodynamics, sediment transport, and morphological bed evolution in rivers and floodplains (PIHM_Hydro) and applies the model to field and laboratory experiments that cover a wide range of spatial and temporal scales. The model uses a standard upwind finite volume method and Roe's approximate Riemann solver for unstructured grids. A multidimensional linear reconstruction and slope limiter are implemented, achieving second-order spatial accuracy. Model efficiency and stability are treated using an explicit-implicit method for temporal discretization with operator splitting. Laboratory-and field-scale experiments were compiled where coupled processes across a range of scales were observed and where higher-order spatial and temporal accuracy might be needed for accurate and efficient solutions. These experiments demonstrate the ability of the fully coupled strategy in capturing dynamics of field-scale flood waves and small-scale drying-wetting processes.

A tightly-coupled domain-decomposition approach for highly nonlinear stochastic multiphysics systems

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

Taverniers, Søren; Tartakovsky, Daniel M., E-mail: dmt@ucsd.edu

2017-02-01

Multiphysics simulations often involve nonlinear components that are driven by internally generated or externally imposed random fluctuations. When used with a domain-decomposition (DD) algorithm, such components have to be coupled in a way that both accurately propagates the noise between the subdomains and lends itself to a stable and cost-effective temporal integration. We develop a conservative DD approach in which tight coupling is obtained by using a Jacobian-free Newton–Krylov (JfNK) method with a generalized minimum residual iterative linear solver. This strategy is tested on a coupled nonlinear diffusion system forced by a truncated Gaussian noise at the boundary. Enforcement ofmore » path-wise continuity of the state variable and its flux, as opposed to continuity in the mean, at interfaces between subdomains enables the DD algorithm to correctly propagate boundary fluctuations throughout the computational domain. Reliance on a single Newton iteration (explicit coupling), rather than on the fully converged JfNK (implicit) coupling, may increase the solution error by an order of magnitude. Increase in communication frequency between the DD components reduces the explicit coupling's error, but makes it less efficient than the implicit coupling at comparable error levels for all noise strengths considered. Finally, the DD algorithm with the implicit JfNK coupling resolves temporally-correlated fluctuations of the boundary noise when the correlation time of the latter exceeds some multiple of an appropriately defined characteristic diffusion time.« less

Hamiltonian approaches to spatial and temporal discretization of fully compressible equations

NASA Astrophysics Data System (ADS)

Dubos, Thomas; Dubey, Sarvesh

2017-04-01

The fully compressible Euler (FCE) equations are the most accurate for representing atmospheric motion, compared to approximate systems like the hydrostatic, anelastic or pseudo-incompressible systems. The price to pay for this accuracy is the presence of additional degrees of freedom and high-frequency acoustic waves that must be treated implicitly. In this work we explore a Hamiltonian approach to the issue of stable spatial and temporal discretization of the FCE using a non-Eulerian vertical coordinate. For scalability, a horizontally-explicit, vertically-implicit (HEVI) time discretization is adopted. The Hamiltonian structure of the equations is used to obtain the spatial finite-difference discretization and also in order to identify those terms of the equations of motion that need to be treated implicitly. A novel treatment of the lower boundary condition in the presence of orography is introduced: rather than enforcing a no-normal-flow boundary condition, which couples the horizontal and vertical velocity components and interferes with the HEVI structure, the ground is treated as a flexible surface with arbitrarily large stiffness, resulting in a decoupling of the horizontal and vertical dynamics and yielding a simple implicit problem which can be solved efficiently. Standard test cases performed in a vertical slice configuration suggest that an effective horizontal acoustic Courant number close to 1 can be achieved.

Implicit Solvation Parameters Derived from Explicit Water Forces in Large-Scale Molecular Dynamics Simulations

PubMed Central

2012-01-01

Implicit solvation is a mean force approach to model solvent forces acting on a solute molecule. It is frequently used in molecular simulations to reduce the computational cost of solvent treatment. In the first instance, the free energy of solvation and the associated solvent–solute forces can be approximated by a function of the solvent-accessible surface area (SASA) of the solute and differentiated by an atom–specific solvation parameter σiSASA. A procedure for the determination of values for the σiSASA parameters through matching of explicit and implicit solvation forces is proposed. Using the results of Molecular Dynamics simulations of 188 topologically diverse protein structures in water and in implicit solvent, values for the σiSASA parameters for atom types i of the standard amino acids in the GROMOS force field have been determined. A simplified representation based on groups of atom types σgSASA was obtained via partitioning of the atom–type σiSASA distributions by dynamic programming. Three groups of atom types with well separated parameter ranges were obtained, and their performance in implicit versus explicit simulations was assessed. The solvent forces are available at http://mathbio.nimr.mrc.ac.uk/wiki/Solvent_Forces. PMID:23180979

A three-dimensional multiphase flow model for assesing NAPL contamination in porous and fractured media, 1. Formulation

NASA Astrophysics Data System (ADS)

Huyakorn, P. S.; Panday, S.; Wu, Y. S.

1994-06-01

A three-dimensional, three-phase numerical model is presented for stimulating the movement on non-aqueous-phase liquids (NAPL's) through porous and fractured media. The model is designed for practical application to a wide variety of contamination and remediation scenarios involving light or dense NAPL's in heterogeneous subsurface systems. The model formulation is first derived for three-phase flow of water, NAPL and air (or vapor) in porous media. The formulation is then extended to handle fractured systems using the dual-porosity and discrete-fracture modeling approaches The model accommodates a wide variety of boundary conditions, including withdrawal and injection well conditions which are treated rigorously using fully implicit schemes. The three-phase of formulation collapses to its simpler forms when air-phase dynamics are neglected, capillary effects are neglected, or two-phase-air-liquid, liquid-liquid systems with one or two active phases are considered. A Galerkin procedure with upstream weighting of fluid mobilities, storage matrix lumping, and fully implicit treatment of nonlinear coefficients and well conditions is used. A variety of nodal connectivity schemes leading to finite-difference, finite-element and hybrid spatial approximations in three dimensions are incorporated in the formulation. Selection of primary variables and evaluation of the terms of the Jacobian matrix for the Newton-Raphson linearized equations is discussed. The various nodal lattice options, and their significance to the computational time and memory requirements with regards to the block-Orthomin solution scheme are noted. Aggressive time-stepping schemes and under-relaxation formulas implemented in the code further alleviate the computational burden.

On a fourth order accurate implicit finite difference scheme for hyperbolic conservation laws. II - Five-point schemes

NASA Technical Reports Server (NTRS)

Harten, A.; Tal-Ezer, H.

1981-01-01

This paper presents a family of two-level five-point implicit schemes for the solution of one-dimensional systems of hyperbolic conservation laws, which generalized the Crank-Nicholson scheme to fourth order accuracy (4-4) in both time and space. These 4-4 schemes are nondissipative and unconditionally stable. Special attention is given to the system of linear equations associated with these 4-4 implicit schemes. The regularity of this system is analyzed and efficiency of solution-algorithms is examined. A two-datum representation of these 4-4 implicit schemes brings about a compactification of the stencil to three mesh points at each time-level. This compact two-datum representation is particularly useful in deriving boundary treatments. Numerical results are presented to illustrate some properties of the proposed scheme.

Implicit Total Variation Diminishing (TVD) schemes for steady-state calculations

NASA Technical Reports Server (NTRS)

Yee, H. C.; Warming, R. F.; Harten, A.

1983-01-01

The application of a new implicit unconditionally stable high resolution total variation diminishing (TVD) scheme to steady state calculations. It is a member of a one parameter family of explicit and implicit second order accurate schemes developed by Harten for the computation of weak solutions of hyperbolic conservation laws. This scheme is guaranteed not to generate spurious oscillations for a nonlinear scalar equation and a constant coefficient system. Numerical experiments show that this scheme not only has a rapid convergence rate, but also generates a highly resolved approximation to the steady state solution. A detailed implementation of the implicit scheme for the one and two dimensional compressible inviscid equations of gas dynamics is presented. Some numerical computations of one and two dimensional fluid flows containing shocks demonstrate the efficiency and accuracy of this new scheme.

PROTEUS two-dimensional Navier-Stokes computer code, version 1.0. Volume 1: Analysis description

NASA Technical Reports Server (NTRS)

Towne, Charles E.; Schwab, John R.; Benson, Thomas J.; Suresh, Ambady

1990-01-01

A new computer code was developed to solve the two-dimensional or axisymmetric, Reynolds averaged, unsteady compressible Navier-Stokes equations in strong conservation law form. The thin-layer or Euler equations may also be solved. Turbulence is modeled using an algebraic eddy viscosity model. The objective was to develop a code for aerospace applications that is easy to use and easy to modify. Code readability, modularity, and documentation were emphasized. The equations are written in nonorthogonal body-fitted coordinates, and solved by marching in time using a fully-coupled alternating direction-implicit procedure with generalized first- or second-order time differencing. All terms are linearized using second-order Taylor series. The boundary conditions are treated implicitly, and may be steady, unsteady, or spatially periodic. Simple Cartesian or polar grids may be generated internally by the program. More complex geometries require an externally generated computational coordinate system. The documentation is divided into three volumes. Volume 1 is the Analysis Description, and describes in detail the governing equations, the turbulence model, the linearization of the equations and boundary conditions, the time and space differencing formulas, the ADI solution procedure, and the artificial viscosity models.

Proteus two-dimensional Navier-Stokes computer code, version 2.0. Volume 3: Programmer's reference

NASA Technical Reports Server (NTRS)

Towne, Charles E.; Schwab, John R.; Bui, Trong T.

1993-01-01

A computer code called Proteus 2D was developed to solve the two-dimensional planar or axisymmetric, Reynolds-averaged, unsteady compressible Navier-Stokes equations in strong conservation law form. The objective in this effort was to develop a code for aerospace propulsion applications that is easy to use and easy to modify. Code readability, modularity, and documentation were emphasized. The governing equations are solved in generalized nonorthogonal body-fitted coordinates, by marching in time using a fully-coupled ADI solution procedure. The boundary conditions are treated implicitly. All terms, including the diffusion terms, are linearized using second-order Taylor series expansions. Turbulence is modeled using either an algebraic or two-equation eddy viscosity model. The thin-layer or Euler equations may also be solved. The energy equation may be eliminated by the assumption of constant total enthalpy. Explicit and implicit artificial viscosity may be used. Several time step options are available for convergence acceleration. The documentation is divided into three volumes. The Programmer's Reference contains detailed information useful when modifying the program. The program structure, the Fortran variables stored in common blocks, and the details of each subprogram are described.

Proteus three-dimensional Navier-Stokes computer code, version 1.0. Volume 3: Programmer's reference

NASA Technical Reports Server (NTRS)

Towne, Charles E.; Schwab, John R.; Bui, Trong T.

1993-01-01

A computer code called Proteus 3D was developed to solve the three-dimensional, Reynolds-averaged, unsteady compressible Navier-Stokes equations in strong conservation law form. The objective in this effort was to develop a code for aerospace propulsion applications that is easy to use and easy to modify. Code readability, modularity, and documentation were emphasized. The governing equations are solved in generalized nonorthogonal body fitted coordinates, by marching in time using a fully-coupled ADI solution procedure. The boundary conditions are treated implicitly. All terms, including the diffusion terms, are linearized using second-order Taylor series expansions. Turbulence is modeled using either an algebraic or two-equation eddy viscosity model. The thin-layer or Euler equations may also be solved. The energy equation may be eliminated by the assumption of constant total enthalpy. Explicit and implicit artificial viscosity may be used. Several time step options are available for convergence acceleration. The documentation is divided into three volumes. The Programmer's Reference contains detailed information useful when modifying the program. The program structure, the Fortran variables stored in common blocks, and the details of each subprogram are described.

Proteus three-dimensional Navier-Stokes computer code, version 1.0. Volume 2: User's guide

NASA Technical Reports Server (NTRS)

Towne, Charles E.; Schwab, John R.; Bui, Trong T.

1993-01-01

A computer code called Proteus 3D was developed to solve the three-dimensional, Reynolds-averaged, unsteady compressible Navier-Stokes equations in strong conservation law form. The objective in this effort was to develop a code for aerospace propulsion applications that is easy to use and easy to modify. Code readability, modularity, and documentation were emphasized. The governing equations are solved in generalized nonorthogonal body-fitted coordinates, by marching in time using a fully-coupled ADI solution procedure. The boundary conditions are treated implicitly. All terms, including the diffusion terms, are linearized using second-order Taylor series expansions. Turbulence is modeled using either an algebraic or two-equation eddy viscosity model. The thin-layer or Euler equations may also be solved. The energy equation may be eliminated by the assumption of constant total enthalpy. Explicit and implicit artificial viscosity may be used. Several time step options are available for convergence acceleration. The documentation is divided into three volumes. This User's Guide describes the program's features, the input and output, the procedure for setting up initial conditions, the computer resource requirements, the diagnostic messages that may be generated, the job control language used to run the program, and several test cases.

Numerical solution of 3D Navier-Stokes equations with upwind implicit schemes

NASA Technical Reports Server (NTRS)

Marx, Yves P.

1990-01-01

An upwind MUSCL type implicit scheme for the three-dimensional Navier-Stokes equations is presented. Comparison between different approximate Riemann solvers (Roe and Osher) are performed and the influence of the reconstructions schemes on the accuracy of the solution as well as on the convergence of the method is studied. A new limiter is introduced in order to remove the problems usually associated with non-linear upwind schemes. The implementation of a diagonal upwind implicit operator for the three-dimensional Navier-Stokes equations is also discussed. Finally the turbulence modeling is assessed. Good prediction of separated flows are demonstrated if a non-equilibrium turbulence model is used.

Boundary conditions for the solution of compressible Navier-Stokes equations by an implicit factored method

NASA Technical Reports Server (NTRS)

Shih, T. I.-P.; Smith, G. E.; Springer, G. S.; Rimon, Y.

1983-01-01

A method is presented for formulating the boundary conditions in implicit finite-difference form needed for obtaining solutions to the compressible Navier-Stokes equations by the Beam and Warming implicit factored method. The usefulness of the method was demonstrated (a) by establishing the boundary conditions applicable to the analysis of the flow inside an axisymmetric piston-cylinder configuration and (b) by calculating velocities and mass fractions inside the cylinder for different geometries and different operating conditions. Stability, selection of time step and grid sizes, and computer time requirements are discussed in reference to the piston-cylinder problem analyzed.

Multigrid Method for Modeling Multi-Dimensional Combustion with Detailed Chemistry

NASA Technical Reports Server (NTRS)

Zheng, Xiaoqing; Liu, Chaoqun; Liao, Changming; Liu, Zhining; McCormick, Steve

1996-01-01

A highly accurate and efficient numerical method is developed for modeling 3-D reacting flows with detailed chemistry. A contravariant velocity-based governing system is developed for general curvilinear coordinates to maintain simplicity of the continuity equation and compactness of the discretization stencil. A fully-implicit backward Euler technique and a third-order monotone upwind-biased scheme on a staggered grid are used for the respective temporal and spatial terms. An efficient semi-coarsening multigrid method based on line-distributive relaxation is used as the flow solver. The species equations are solved in a fully coupled way and the chemical reaction source terms are treated implicitly. Example results are shown for a 3-D gas turbine combustor with strong swirling inflows.

Application of viscous-inviscid interaction methods to transonic turbulent flows

NASA Technical Reports Server (NTRS)

Lee, D.; Pletcher, R. H.

1986-01-01

Two different viscous-inviscid interaction schemes were developed for the analysis of steady, turbulent, transonic, separated flows over axisymmetric bodies. The viscous and inviscid solutions are coupled through the displacement concept using a transpiration velocity approach. In the semi-inverse interaction scheme, the viscous and inviscid equations are solved in an explicitly separate manner and the displacement thickness distribution is iteratively updated by a simple coupling algorithm. In the simultaneous interaction method, local solutions of viscous and inviscid equations are treated simultaneously, and the displacement thickness is treated as an unknown and is obtained as a part of the solution through a global iteration procedure. The inviscid flow region is described by a direct finite-difference solution of a velocity potential equation in conservative form. The potential equation is solved on a numerically generated mesh by an approximate factorization (AF2) scheme in the semi-inverse interaction method and by a successive line overrelaxation (SLOR) scheme in the simultaneous interaction method. The boundary-layer equations are used for the viscous flow region. The continuity and momentum equations are solved inversely in a coupled manner using a fully implicit finite-difference scheme.

Direct comparison of four implicit memory tests.

PubMed

Rajaram, S; Roediger, H L

1993-07-01

Four verbal implicit memory tests, word identification, word stem completion, word fragment completion, and anagram solution, were directly compared in one experiment and were contrasted with free recall. On all implicit tests, priming was greatest from prior visual presentation of words, less (but significant) from auditory presentation, and least from pictorial presentations. Typefont did not affect priming. In free recall, pictures were recalled better than words. The four implicit tests all largely index perceptual (lexical) operations in recognizing words, or visual word form representations.

Implicit filtered P{sub N} for high-energy density thermal radiation transport using discontinuous Galerkin finite elements

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

Laboure, Vincent M., E-mail: vincent.laboure@tamu.edu; McClarren, Ryan G., E-mail: rgm@tamu.edu; Hauck, Cory D., E-mail: hauckc@ornl.gov

2016-09-15

In this work, we provide a fully-implicit implementation of the time-dependent, filtered spherical harmonics (FP{sub N}) equations for non-linear, thermal radiative transfer. We investigate local filtering strategies and analyze the effect of the filter on the conditioning of the system, showing in particular that the filter improves the convergence properties of the iterative solver. We also investigate numerically the rigorous error estimates derived in the linear setting, to determine whether they hold also for the non-linear case. Finally, we simulate a standard test problem on an unstructured mesh and make comparisons with implicit Monte Carlo (IMC) calculations.

Assessment of Preconditioner for a USM3D Hierarchical Adaptive Nonlinear Method (HANIM) (Invited)

NASA Technical Reports Server (NTRS)

Pandya, Mohagna J.; Diskin, Boris; Thomas, James L.; Frink, Neal T.

2016-01-01

Enhancements to the previously reported mixed-element USM3D Hierarchical Adaptive Nonlinear Iteration Method (HANIM) framework have been made to further improve robustness, efficiency, and accuracy of computational fluid dynamic simulations. The key enhancements include a multi-color line-implicit preconditioner, a discretely consistent symmetry boundary condition, and a line-mapping method for the turbulence source term discretization. The USM3D iterative convergence for the turbulent flows is assessed on four configurations. The configurations include a two-dimensional (2D) bump-in-channel, the 2D NACA 0012 airfoil, a three-dimensional (3D) bump-in-channel, and a 3D hemisphere cylinder. The Reynolds Averaged Navier Stokes (RANS) solutions have been obtained using a Spalart-Allmaras turbulence model and families of uniformly refined nested grids. Two types of HANIM solutions using line- and point-implicit preconditioners have been computed. Additional solutions using the point-implicit preconditioner alone (PA) method that broadly represents the baseline solver technology have also been computed. The line-implicit HANIM shows superior iterative convergence in most cases with progressively increasing benefits on finer grids.

Reducing Racial Health Care Disparities: A Social Psychological Analysis.

PubMed

Penner, Louis A; Blair, Irene V; Albrecht, Terrance L; Dovidio, John F

2014-10-01

Large health disparities persist between Black and White Americans. The social psychology of intergroup relations suggests some solutions to health care disparities due to racial bias. Three paths can lead from racial bias to poorer health among Black Americans. First is the already well-documented physical and psychological toll of being a target of persistent discrimination. Second, implicit bias can affect physicians' perceptions and decisions, creating racial disparities in medical treatments, although evidence is mixed. The third path describes a less direct route: Physicians' implicit racial bias negatively affects communication and the patient-provider relationship, resulting in racial disparities in the outcomes of medical interactions. Strong evidence shows that physician implicit bias negatively affects Black patients' reactions to medical interactions, and there is good circumstantial evidence that these reactions affect health outcomes of the interactions. Solutions focused on the physician, the patient, and the health care delivery system; all agree that trying to ignore patients' race or to change physicians' implicit racial attitudes will not be effective and may actually be counterproductive. Instead, solutions can minimize the impact of racial bias on medical decisions and on patient-provider relationships.

Finite-difference model for 3-D flow in bays and estuaries

USGS Publications Warehouse

Smith, Peter E.; Larock, Bruce E.; ,

1993-01-01

This paper describes a semi-implicit finite-difference model for the numerical solution of three-dimensional flow in bays and estuaries. The model treats the gravity wave and vertical diffusion terms in the governing equations implicitly, and other terms explicitly. The model achieves essentially second-order accurate and stable solutions in strongly nonlinear problems by using a three-time-level leapfrog-trapezoidal scheme for the time integration.

Implicit finite difference methods on composite grids

NASA Technical Reports Server (NTRS)

Mastin, C. Wayne

1987-01-01

Techniques for eliminating time lags in the implicit finite-difference solution of partial differential equations are investigated analytically, with a focus on transient fluid dynamics problems on overlapping multicomponent grids. The fundamental principles of the approach are explained, and the method is shown to be applicable to both rectangular and curvilinear grids. Numerical results for sample problems are compared with exact solutions in graphs, and good agreement is demonstrated.

A comparison of three-dimensional nonequilibrium solution algorithms applied to hypersonic flows with stiff chemical source terms

NASA Technical Reports Server (NTRS)

Palmer, Grant; Venkatapathy, Ethiraj

1993-01-01

Three solution algorithms, explicit underrelaxation, point implicit, and lower upper symmetric Gauss-Seidel (LUSGS), are used to compute nonequilibrium flow around the Apollo 4 return capsule at 62 km altitude. By varying the Mach number, the efficiency and robustness of the solution algorithms were tested for different levels of chemical stiffness. The performance of the solution algorithms degraded as the Mach number and stiffness of the flow increased. At Mach 15, 23, and 30, the LUSGS method produces an eight order of magnitude drop in the L2 norm of the energy residual in 1/3 to 1/2 the Cray C-90 computer time as compared to the point implicit and explicit under-relaxation methods. The explicit under-relaxation algorithm experienced convergence difficulties at Mach 23 and above. At Mach 40 the performance of the LUSGS algorithm deteriorates to the point it is out-performed by the point implicit method. The effects of the viscous terms are investigated. Grid dependency questions are explored.

Methodology for CFD Design Analysis of National Launch System Nozzle Manifold

NASA Technical Reports Server (NTRS)

Haire, Scot L.

1993-01-01

The current design environment dictates that high technology CFD (Computational Fluid Dynamics) analysis produce quality results in a timely manner if it is to be integrated into the design process. The design methodology outlined describes the CFD analysis of an NLS (National Launch System) nozzle film cooling manifold. The objective of the analysis was to obtain a qualitative estimate for the flow distribution within the manifold. A complex, 3D, multiple zone, structured grid was generated from a 3D CAD file of the geometry. A Euler solution was computed with a fully implicit compressible flow solver. Post processing consisted of full 3D color graphics and mass averaged performance. The result was a qualitative CFD solution that provided the design team with relevant information concerning the flow distribution in and performance characteristics of the film cooling manifold within an effective time frame. Also, this design methodology was the foundation for a quick turnaround CFD analysis of the next iteration in the manifold design.

Flow model for open-channel reach or network

USGS Publications Warehouse

Schaffranek, R.W.

1987-01-01

Formulation of a one-dimensional model for simulating unsteady flow in a single open-channel reach or in a network of interconnected channels is presented. The model is both general and flexible in that it can be used to simulate a wide range of flow conditions for various channel configurations. It is based on a four-point (box), implicit, finite-difference approximation of the governing nonlinear flow equations with user-definable weighting coefficients to permit varying the solution scheme from box-centered to fully forward. Unique transformation equations are formulated that permit correlation of the unknowns at the extremities of the channels, thereby reducing coefficient matrix and execution time requirements. Discharges and water-surface elevations computed at intermediate locations within a channel are determined following solution of the transformation equations. The matrix of transformation and boundary-condition equations is solved by Gauss elimination using maximum pivot strategy. Two diverse applications of the model are presented to illustrate its broad utility. (USGS)

Discontinuous dual-primal mixed finite elements for elliptic problems

NASA Technical Reports Server (NTRS)

Bottasso, Carlo L.; Micheletti, Stefano; Sacco, Riccardo

2000-01-01

We propose a novel discontinuous mixed finite element formulation for the solution of second-order elliptic problems. Fully discontinuous piecewise polynomial finite element spaces are used for the trial and test functions. The discontinuous nature of the test functions at the element interfaces allows to introduce new boundary unknowns that, on the one hand enforce the weak continuity of the trial functions, and on the other avoid the need to define a priori algorithmic fluxes as in standard discontinuous Galerkin methods. Static condensation is performed at the element level, leading to a solution procedure based on the sole interface unknowns. The resulting family of discontinuous dual-primal mixed finite element methods is presented in the one and two-dimensional cases. In the one-dimensional case, we show the equivalence of the method with implicit Runge-Kutta schemes of the collocation type exhibiting optimal behavior. Numerical experiments in one and two dimensions demonstrate the order accuracy of the new method, confirming the results of the analysis.

Entropy-based artificial viscosity stabilization for non-equilibrium Grey Radiation-Hydrodynamics

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

Delchini, Marc O., E-mail: delchinm@email.tamu.edu; Ragusa, Jean C., E-mail: jean.ragusa@tamu.edu; Morel, Jim, E-mail: jim.morel@tamu.edu

2015-09-01

The entropy viscosity method is extended to the non-equilibrium Grey Radiation-Hydrodynamic equations. The method employs a viscous regularization to stabilize the numerical solution. The artificial viscosity coefficient is modulated by the entropy production and peaks at shock locations. The added dissipative terms are consistent with the entropy minimum principle. A new functional form of the entropy residual, suitable for the Radiation-Hydrodynamic equations, is derived. We demonstrate that the viscous regularization preserves the equilibrium diffusion limit. The equations are discretized with a standard Continuous Galerkin Finite Element Method and a fully implicit temporal integrator within the MOOSE multiphysics framework. The methodmore » of manufactured solutions is employed to demonstrate second-order accuracy in both the equilibrium diffusion and streaming limits. Several typical 1-D radiation-hydrodynamic test cases with shocks (from Mach 1.05 to Mach 50) are presented to establish the ability of the technique to capture and resolve shocks.« less

Development of an upwind, finite-volume code with finite-rate chemistry

NASA Technical Reports Server (NTRS)

Molvik, Gregory A.

1994-01-01

Under this grant, two numerical algorithms were developed to predict the flow of viscous, hypersonic, chemically reacting gases over three-dimensional bodies. Both algorithms take advantage of the benefits of upwind differencing, total variation diminishing techniques, and a finite-volume framework, but obtain their solution in two separate manners. The first algorithm is a zonal, time-marching scheme, and is generally used to obtain solutions in the subsonic portions of the flow field. The second algorithm is a much less expensive, space-marching scheme and can be used for the computation of the larger, supersonic portion of the flow field. Both codes compute their interface fluxes with a temporal Riemann solver and the resulting schemes are made fully implicit including the chemical source terms and boundary conditions. Strong coupling is used between the fluid dynamic, chemical, and turbulence equations. These codes have been validated on numerous hypersonic test cases and have provided excellent comparison with existing data.

Simulation of ITG instabilities with fully kinetic ions and drift-kinetic electrons in tokamaks

NASA Astrophysics Data System (ADS)

Hu, Youjun; Chen, Yang; Parker, Scott

2017-10-01

A turbulence simulation model with fully kinetic ions and drift-kinetic electrons is being developed in the toroidal electromagnetic turbulence code GEM. This is motivated by the observation that gyrokinetic ions are not well justified in simulating turbulence in tokamak edges with steep density profile, where ρi / L is not small enough to be used a small parameter needed by the gyrokinetic ordering (here ρi is the gyro-radius of ions and L is the scale length of density profile). In this case, the fully kinetic ion model may be useful. Our model uses an implicit scheme to suppress high-frequency compressional Alfven waves and waves associated with the gyro-motion of ions. The ion orbits are advanced by using the well-known Boris scheme, which reproduces correct drift-motion even with large time-step comparable to the ion gyro-period. The field equation in this model is Ampere's law with the magnetic field eliminated by using an implicit scheme of Faraday's law. The current contributed by ions are computed by using an implicit δf method. A flux tube approximation is adopted, which makes the field equation much easier to solve. Numerical results of electromagnetic ITG obtained from this model will be presented and compared with the gyrokinetic results. This work is supported by U.S. Department of Energy, Office of Fusion Energy Sciences under Award No. DE-SC0008801.

Implicit schemes and parallel computing in unstructured grid CFD

NASA Technical Reports Server (NTRS)

Venkatakrishnam, V.

1995-01-01

The development of implicit schemes for obtaining steady state solutions to the Euler and Navier-Stokes equations on unstructured grids is outlined. Applications are presented that compare the convergence characteristics of various implicit methods. Next, the development of explicit and implicit schemes to compute unsteady flows on unstructured grids is discussed. Next, the issues involved in parallelizing finite volume schemes on unstructured meshes in an MIMD (multiple instruction/multiple data stream) fashion are outlined. Techniques for partitioning unstructured grids among processors and for extracting parallelism in explicit and implicit solvers are discussed. Finally, some dynamic load balancing ideas, which are useful in adaptive transient computations, are presented.

Application of fast Fourier transforms to the direct solution of a class of two-dimensional separable elliptic equations on the sphere

NASA Technical Reports Server (NTRS)

Moorthi, Shrinivas; Higgins, R. W.

1993-01-01

An efficient, direct, second-order solver for the discrete solution of a class of two-dimensional separable elliptic equations on the sphere (which generally arise in implicit and semi-implicit atmospheric models) is presented. The method involves a Fourier transformation in longitude and a direct solution of the resulting coupled second-order finite-difference equations in latitude. The solver is made efficient by vectorizing over longitudinal wave-number and by using a vectorized fast Fourier transform routine. It is evaluated using a prescribed solution method and compared with a multigrid solver and the standard direct solver from FISHPAK.

Combined AIE/EBE/GMRES approach to incompressible flows. [Adaptive Implicit-Explicit/Grouped Element-by-Element/Generalized Minimum Residuals

NASA Technical Reports Server (NTRS)

Liou, J.; Tezduyar, T. E.

1990-01-01

Adaptive implicit-explicit (AIE), grouped element-by-element (GEBE), and generalized minimum residuals (GMRES) solution techniques for incompressible flows are combined. In this approach, the GEBE and GMRES iteration methods are employed to solve the equation systems resulting from the implicitly treated elements, and therefore no direct solution effort is involved. The benchmarking results demonstrate that this approach can substantially reduce the CPU time and memory requirements in large-scale flow problems. Although the description of the concepts and the numerical demonstration are based on the incompressible flows, the approach presented here is applicable to larger class of problems in computational mechanics.

An implicit time-marching method for studying unsteady flow with massive separation

NASA Technical Reports Server (NTRS)

Osswald, G. A.; Ghia, K. N.; Chia, U.

1985-01-01

A fully implicit time-marching method is developed such that all spatial derivatives are approximated using central differences, but no use is made of any artificial dissipation. The numerical method solves the discretized equations using Alternating Direction Implicit-Block Gaussian Elimination technique. The method is implemented in the unsteady analysis, which solves the incompressible Navier-Stokes equations in terms of vorticity and stream function in generalized orthogonal coordinates. A clustered conformal C-grid is employed, and every effort is made to resolve the various length scales in the flow problem. The metric discontinuity at the branch-cut is treated appropriately using analytic continuation. Introduction of the BGE reordering permits implicit treatment of the branch cut in the numerical method. The vorticity singularity at the cusped trailing edge is also appropriately treated. This accurate and efficient implicit method is used to study flow at Re = 1000, past a 12-percent thick symmetric Joukowski airfoil at high angle of attack 30 and 53 deg.

Exploring the disruptive effects of psychopathy and aggression on group processes and group effectiveness.

PubMed

Baysinger, Michael A; Scherer, Kelly T; LeBreton, James M

2014-01-01

The present research examines the influence of implicit and explicit personality characteristics on group process and effectiveness. Individuals from 112 groups participated in 2 problem-solving tasks and completed measures of group process and effectiveness. Results indicated that groups characterized by higher levels of psychopathy and implicit aggression tended to have more dysfunctional interactions and negative perceptions of the group. In addition, task participation and negative socioemotional behaviors fully mediated the relationship between group personality traits and group commitment and cohesion, and negative socioemotional behaviors fully mediated the relationship between group personality and performance on both tasks. Implications of antisocial traits for group interactions and performance, as well as for future theory and research, are discussed. PsycINFO Database Record (c) 2014 APA, all rights reserved

Nonlinear study of the parallel velocity/tearing instability using an implicit, nonlinear resistive MHD solver

NASA Astrophysics Data System (ADS)

Chacon, L.; Finn, J. M.; Knoll, D. A.

2000-10-01

Recently, a new parallel velocity instability has been found.(J. M. Finn, Phys. Plasmas), 2, 12 (1995) This mode is a tearing mode driven unstable by curvature effects and sound wave coupling in the presence of parallel velocity shear. Under such conditions, linear theory predicts that tearing instabilities will grow even in situations in which the classical tearing mode is stable. This could then be a viable seed mechanism for the neoclassical tearing mode, and hence a non-linear study is of interest. Here, the linear and non-linear stages of this instability are explored using a fully implicit, fully nonlinear 2D reduced resistive MHD code,(L. Chacon et al), ``Implicit, Jacobian-free Newton-Krylov 2D reduced resistive MHD nonlinear solver,'' submitted to J. Comput. Phys. (2000) including viscosity and particle transport effects. The nonlinear implicit time integration is performed using the Newton-Raphson iterative algorithm. Krylov iterative techniques are employed for the required algebraic matrix inversions, implemented Jacobian-free (i.e., without ever forming and storing the Jacobian matrix), and preconditioned with a ``physics-based'' preconditioner. Nonlinear results indicate that, for large total plasma beta and large parallel velocity shear, the instability results in the generation of large poloidal shear flows and large magnetic islands even in regimes when the classical tearing mode is absolutely stable. For small viscosity, the time asymptotic state can be turbulent.

Decomposing intuitive components in a conceptual problem solving task.

PubMed

Reber, Rolf; Ruch-Monachon, Marie-Antoinette; Perrig, Walter J

2007-06-01

Research into intuitive problem solving has shown that objective closeness of participants' hypotheses were closer to the accurate solution than their subjective ratings of closeness. After separating conceptually intuitive problem solving from the solutions of rational incremental tasks and of sudden insight tasks, we replicated this finding by using more precise measures in a conceptual problem-solving task. In a second study, we distinguished performance level, processing style, implicit knowledge and subjective feeling of closeness to the solution within the problem-solving task and examined the relationships of these different components with measures of intelligence and personality. Verbal intelligence correlated with performance level in problem solving, but not with processing style and implicit knowledge. Faith in intuition, openness to experience, and conscientiousness correlated with processing style, but not with implicit knowledge. These findings suggest that one needs to decompose processing style and intuitive components in problem solving to make predictions on effects of intelligence and personality measures.

Fast viscosity solutions for shape from shading under a more realistic imaging model

NASA Astrophysics Data System (ADS)

Wang, Guohui; Han, Jiuqiang; Jia, Honghai; Zhang, Xinman

2009-11-01

Shape from shading (SFS) has been a classical and important problem in the domain of computer vision. The goal of SFS is to reconstruct the 3-D shape of an object from its 2-D intensity image. To this end, an image irradiance equation describing the relation between the shape of a surface and its corresponding brightness variations is used. Then it is derived as an explicit partial differential equation (PDE). Using the nonlinear programming principle, we propose a detailed solution to Prados and Faugeras's implicit scheme for approximating the viscosity solution of the resulting PDE. Furthermore, by combining implicit and semi-implicit schemes, a new approximation scheme is presented. In order to accelerate the convergence speed, we adopt the Gauss-Seidel idea and alternating sweeping strategy to the approximation schemes. Experimental results on both synthetic and real images are performed to demonstrate that the proposed methods are fast and accurate.

Explicit ions/implicit water generalized Born model for nucleic acids

NASA Astrophysics Data System (ADS)

Tolokh, Igor S.; Thomas, Dennis G.; Onufriev, Alexey V.

2018-05-01

The ion atmosphere around highly charged nucleic acid molecules plays a significant role in their dynamics, structure, and interactions. Here we utilized the implicit solvent framework to develop a model for the explicit treatment of ions interacting with nucleic acid molecules. The proposed explicit ions/implicit water model is based on a significantly modified generalized Born (GB) model and utilizes a non-standard approach to define the solute/solvent dielectric boundary. Specifically, the model includes modifications to the GB interaction terms for the case of multiple interacting solutes—disconnected dielectric boundary around the solute-ion or ion-ion pairs. A fully analytical description of all energy components for charge-charge interactions is provided. The effectiveness of the approach is demonstrated by calculating the potential of mean force for Na+-Cl- ion pair and by carrying out a set of Monte Carlo (MC) simulations of mono- and trivalent ions interacting with DNA and RNA duplexes. The monovalent (Na+) and trivalent (CoHex3+) counterion distributions predicted by the model are in close quantitative agreement with all-atom explicit water molecular dynamics simulations used as reference. Expressed in the units of energy, the maximum deviations of local ion concentrations from the reference are within kBT. The proposed explicit ions/implicit water GB model is able to resolve subtle features and differences of CoHex distributions around DNA and RNA duplexes. These features include preferential CoHex binding inside the major groove of the RNA duplex, in contrast to CoHex biding at the "external" surface of the sugar-phosphate backbone of the DNA duplex; these differences in the counterion binding patters were earlier shown to be responsible for the observed drastic differences in condensation propensities between short DNA and RNA duplexes. MC simulations of CoHex ions interacting with the homopolymeric poly(dA.dT) DNA duplex with modified (de-methylated) and native thymine bases are used to explore the physics behind CoHex-thymine interactions. The simulations suggest that the ion desolvation penalty due to proximity to the low dielectric volume of the methyl group can contribute significantly to CoHex-thymine interactions. Compared to the steric repulsion between the ion and the methyl group, the desolvation penalty interaction has a longer range and may be important to consider in the context of methylation effects on DNA condensation.

Products recognition on shop-racks from local scale-invariant features

NASA Astrophysics Data System (ADS)

Zawistowski, Jacek; Kurzejamski, Grzegorz; Garbat, Piotr; Naruniec, Jacek

2016-04-01

This paper presents a system designed for the multi-object detection purposes and adjusted for the application of product search on the market shelves. System uses well known binary keypoint detection algorithms for finding characteristic points in the image. One of the main idea is object recognition based on Implicit Shape Model method. Authors of the article proposed many improvements of the algorithm. Originally fiducial points are matched with a very simple function. This leads to the limitations in the number of objects parts being success- fully separated, while various methods of classification may be validated in order to achieve higher performance. Such an extension implies research on training procedure able to deal with many objects categories. Proposed solution opens a new possibilities for many algorithms demanding fast and robust multi-object recognition.

A fully-implicit high-order system thermal-hydraulics model for advanced non-LWR safety analyses

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

Hu, Rui

An advanced system analysis tool is being developed for advanced reactor safety analysis. This paper describes the underlying physics and numerical models used in the code, including the governing equations, the stabilization schemes, the high-order spatial and temporal discretization schemes, and the Jacobian Free Newton Krylov solution method. The effects of the spatial and temporal discretization schemes are investigated. Additionally, a series of verification test problems are presented to confirm the high-order schemes. Furthermore, it is demonstrated that the developed system thermal-hydraulics model can be strictly verified with the theoretical convergence rates, and that it performs very well for amore » wide range of flow problems with high accuracy, efficiency, and minimal numerical diffusions.« less

A fully-implicit high-order system thermal-hydraulics model for advanced non-LWR safety analyses

DOE PAGES

Hu, Rui

2016-11-19

An advanced system analysis tool is being developed for advanced reactor safety analysis. This paper describes the underlying physics and numerical models used in the code, including the governing equations, the stabilization schemes, the high-order spatial and temporal discretization schemes, and the Jacobian Free Newton Krylov solution method. The effects of the spatial and temporal discretization schemes are investigated. Additionally, a series of verification test problems are presented to confirm the high-order schemes. Furthermore, it is demonstrated that the developed system thermal-hydraulics model can be strictly verified with the theoretical convergence rates, and that it performs very well for amore » wide range of flow problems with high accuracy, efficiency, and minimal numerical diffusions.« less

An implicit higher-order spatially accurate scheme for solving time dependent flows on unstructured meshes

NASA Astrophysics Data System (ADS)

Tomaro, Robert F.

1998-07-01

The present research is aimed at developing a higher-order, spatially accurate scheme for both steady and unsteady flow simulations using unstructured meshes. The resulting scheme must work on a variety of general problems to ensure the creation of a flexible, reliable and accurate aerodynamic analysis tool. To calculate the flow around complex configurations, unstructured grids and the associated flow solvers have been developed. Efficient simulations require the minimum use of computer memory and computational times. Unstructured flow solvers typically require more computer memory than a structured flow solver due to the indirect addressing of the cells. The approach taken in the present research was to modify an existing three-dimensional unstructured flow solver to first decrease the computational time required for a solution and then to increase the spatial accuracy. The terms required to simulate flow involving non-stationary grids were also implemented. First, an implicit solution algorithm was implemented to replace the existing explicit procedure. Several test cases, including internal and external, inviscid and viscous, two-dimensional, three-dimensional and axi-symmetric problems, were simulated for comparison between the explicit and implicit solution procedures. The increased efficiency and robustness of modified code due to the implicit algorithm was demonstrated. Two unsteady test cases, a plunging airfoil and a wing undergoing bending and torsion, were simulated using the implicit algorithm modified to include the terms required for a moving and/or deforming grid. Secondly, a higher than second-order spatially accurate scheme was developed and implemented into the baseline code. Third- and fourth-order spatially accurate schemes were implemented and tested. The original dissipation was modified to include higher-order terms and modified near shock waves to limit pre- and post-shock oscillations. The unsteady cases were repeated using the higher-order spatially accurate code. The new solutions were compared with those obtained using the second-order spatially accurate scheme. Finally, the increased efficiency of using an implicit solution algorithm in a production Computational Fluid Dynamics flow solver was demonstrated for steady and unsteady flows. A third- and fourth-order spatially accurate scheme has been implemented creating a basis for a state-of-the-art aerodynamic analysis tool.

Reducing Racial Health Care Disparities: A Social Psychological Analysis

PubMed Central

Penner, Louis A.; Blair, Irene V.; Albrecht, Terrance L.; Dovidio, John F.

2015-01-01

Large health disparities persist between Black and White Americans. The social psychology of intergroup relations suggests some solutions to health care disparities due to racial bias. Three paths can lead from racial bias to poorer health among Black Americans. First is the already well-documented physical and psychological toll of being a target of persistent discrimination. Second, implicit bias can affect physicians’ perceptions and decisions, creating racial disparities in medical treatments, although evidence is mixed. The third path describes a less direct route: Physicians’ implicit racial bias negatively affects communication and the patient–provider relationship, resulting in racial disparities in the outcomes of medical interactions. Strong evidence shows that physician implicit bias negatively affects Black patients’ reactions to medical interactions, and there is good circumstantial evidence that these reactions affect health outcomes of the interactions. Solutions focused on the physician, the patient, and the health care delivery system; all agree that trying to ignore patients’ race or to change physicians’ implicit racial attitudes will not be effective and may actually be counterproductive. Instead, solutions can minimize the impact of racial bias on medical decisions and on patient–provider relationships. PMID:25705721

GroPBS: Fast Solver for Implicit Electrostatics of Biomolecules

PubMed Central

Bertelshofer, Franziska; Sun, Liping; Greiner, Günther; Böckmann, Rainer A.

2015-01-01

Knowledge about the electrostatic potential on the surface of biomolecules or biomembranes under physiological conditions is an important step in the attempt to characterize the physico-chemical properties of these molecules and, in particular, also their interactions with each other. Additionally, knowledge about solution electrostatics may also guide the design of molecules with specified properties. However, explicit water models come at a high computational cost, rendering them unsuitable for large design studies or for docking purposes. Implicit models with the water phase treated as a continuum require the numerical solution of the Poisson–Boltzmann equation (PBE). Here, we present a new flexible program for the numerical solution of the PBE, allowing for different geometries, and the explicit and implicit inclusion of membranes. It involves a discretization of space and the computation of the molecular surface. The PBE is solved using finite differences, the resulting set of equations is solved using a Gauss–Seidel method. It is shown for the example of the sucrose transporter ScrY that the implicit inclusion of a surrounding membrane has a strong effect also on the electrostatics within the pore region and, thus, needs to be carefully considered, e.g., in design studies on membrane proteins. PMID:26636074

Algorithmically scalable block preconditioner for fully implicit shallow-water equations in CAM-SE

DOE PAGES

Lott, P. Aaron; Woodward, Carol S.; Evans, Katherine J.

2014-10-19

Performing accurate and efficient numerical simulation of global atmospheric climate models is challenging due to the disparate length and time scales over which physical processes interact. Implicit solvers enable the physical system to be integrated with a time step commensurate with processes being studied. The dominant cost of an implicit time step is the ancillary linear system solves, so we have developed a preconditioner aimed at improving the efficiency of these linear system solves. Our preconditioner is based on an approximate block factorization of the linearized shallow-water equations and has been implemented within the spectral element dynamical core within themore » Community Atmospheric Model (CAM-SE). Furthermore, in this paper we discuss the development and scalability of the preconditioner for a suite of test cases with the implicit shallow-water solver within CAM-SE.« less

A multi-dimensional nonlinearly implicit, electromagnetic Vlasov-Darwin particle-in-cell (PIC) algorithm

NASA Astrophysics Data System (ADS)

Chen, Guangye; Chacón, Luis; CoCoMans Team

2014-10-01

For decades, the Vlasov-Darwin model has been recognized to be attractive for PIC simulations (to avoid radiative noise issues) in non-radiative electromagnetic regimes. However, the Darwin model results in elliptic field equations that renders explicit time integration unconditionally unstable. Improving on linearly implicit schemes, fully implicit PIC algorithms for both electrostatic and electromagnetic regimes, with exact discrete energy and charge conservation properties, have been recently developed in 1D. This study builds on these recent algorithms to develop an implicit, orbit-averaged, time-space-centered finite difference scheme for the particle-field equations in multiple dimensions. The algorithm conserves energy, charge, and canonical-momentum exactly, even with grid packing. A simple fluid preconditioner allows efficient use of large timesteps, O (√{mi/me}c/veT) larger than the explicit CFL. We demonstrate the accuracy and efficiency properties of the of the algorithm with various numerical experiments in 2D3V.

Comparison of Nonequilibrium Solution Algorithms Applied to Chemically Stiff Hypersonic Flows

NASA Technical Reports Server (NTRS)

Palmer, Grant; Venkatapathy, Ethiraj

1995-01-01

Three solution algorithms, explicit under-relaxation, point implicit, and lower-upper symmetric Gauss-Seidel, are used to compute nonequilibrium flow around the Apollo 4 return capsule at the 62-km altitude point in its descent trajectory. By varying the Mach number, the efficiency and robustness of the solution algorithms were tested for different levels of chemical stiffness.The performance of the solution algorithms degraded as the Mach number and stiffness of the flow increased. At Mach 15 and 30, the lower-upper symmetric Gauss-Seidel method produces an eight order of magnitude drop in the energy residual in one-third to one-half the Cray C-90 computer time as compared to the point implicit and explicit under-relaxation methods. The explicit under-relaxation algorithm experienced convergence difficulties at Mach 30 and above. At Mach 40 the performance of the lower-upper symmetric Gauss-Seidel algorithm deteriorates to the point that it is out performed by the point implicit method. The effects of the viscous terms are investigated. Grid dependency questions are explored.

TAIR- TRANSONIC AIRFOIL ANALYSIS COMPUTER CODE

NASA Technical Reports Server (NTRS)

Dougherty, F. C.

1994-01-01

The Transonic Airfoil analysis computer code, TAIR, was developed to employ a fast, fully implicit algorithm to solve the conservative full-potential equation for the steady transonic flow field about an arbitrary airfoil immersed in a subsonic free stream. The full-potential formulation is considered exact under the assumptions of irrotational, isentropic, and inviscid flow. These assumptions are valid for a wide range of practical transonic flows typical of modern aircraft cruise conditions. The primary features of TAIR include: a new fully implicit iteration scheme which is typically many times faster than classical successive line overrelaxation algorithms; a new, reliable artifical density spatial differencing scheme treating the conservative form of the full-potential equation; and a numerical mapping procedure capable of generating curvilinear, body-fitted finite-difference grids about arbitrary airfoil geometries. Three aspects emphasized during the development of the TAIR code were reliability, simplicity, and speed. The reliability of TAIR comes from two sources: the new algorithm employed and the implementation of effective convergence monitoring logic. TAIR achieves ease of use by employing a "default mode" that greatly simplifies code operation, especially by inexperienced users, and many useful options including: several airfoil-geometry input options, flexible user controls over program output, and a multiple solution capability. The speed of the TAIR code is attributed to the new algorithm and the manner in which it has been implemented. Input to the TAIR program consists of airfoil coordinates, aerodynamic and flow-field convergence parameters, and geometric and grid convergence parameters. The airfoil coordinates for many airfoil shapes can be generated in TAIR from just a few input parameters. Most of the other input parameters have default values which allow the user to run an analysis in the default mode by specifing only a few input parameters. Output from TAIR may include aerodynamic coefficients, the airfoil surface solution, convergence histories, and printer plots of Mach number and density contour maps. The TAIR program is written in FORTRAN IV for batch execution and has been implemented on a CDC 7600 computer with a central memory requirement of approximately 155K (octal) of 60 bit words. The TAIR program was developed in 1981.

Preconditioned implicit solvers for the Navier-Stokes equations on distributed-memory machines

NASA Technical Reports Server (NTRS)

Ajmani, Kumud; Liou, Meng-Sing; Dyson, Rodger W.

1994-01-01

The GMRES method is parallelized, and combined with local preconditioning to construct an implicit parallel solver to obtain steady-state solutions for the Navier-Stokes equations of fluid flow on distributed-memory machines. The new implicit parallel solver is designed to preserve the convergence rate of the equivalent 'serial' solver. A static domain-decomposition is used to partition the computational domain amongst the available processing nodes of the parallel machine. The SPMD (Single-Program Multiple-Data) programming model is combined with message-passing tools to develop the parallel code on a 32-node Intel Hypercube and a 512-node Intel Delta machine. The implicit parallel solver is validated for internal and external flow problems, and is found to compare identically with flow solutions obtained on a Cray Y-MP/8. A peak computational speed of 2300 MFlops/sec has been achieved on 512 nodes of the Intel Delta machine,k for a problem size of 1024 K equations (256 K grid points).

Calculation of unsteady airfoil loads with and without flap deflection at -90 degrees incidence

NASA Technical Reports Server (NTRS)

Stremel, Paul M.

1991-01-01

A method has been developed for calculating the viscous flow about airfoils with and without deflected flaps at -90 deg incidence. This unique method provides for the direct solution of the incompressible Navier-Stokes equations by means of a fully coupled implicit technique. The solution is calculated on a body-fitted computational mesh incorporating a staggered grid method. The vorticity is determined at the node points, and the velocity components are defined at the mesh-cell sides. The staggered-grid orientation provides for accurate representation of vorticity at the node points and for the conservation of mass at the mesh-cell centers. The method provides for the direct solution of the flow field and satisfies the conservation of mass to machine zero at each time-step. The results of the present analysis and experimental results obtained for a XV-15 airfoil are compared. The comparisons indicate that the calculated drag reduction caused by flap deflection and the calculated average surface pressure are in excellent agreement with the measured results. Comparisons of the numerical results of the present method for several airfoils demonstrate the significant influence of airfoil curvature and flap deflection on the predicted download.

An Energy- and Charge-conserving, Implicit, Electrostatic Particle-in-Cell Algorithm in curvilinear geometry

NASA Astrophysics Data System (ADS)

Chen, G.; Chacón, L.; Barnes, D. C.

2012-03-01

A recent proof-of-principle study proposes an energy- and charge-conserving, fully implicit particle-in-cell algorithm in one dimension [1], which is able to use timesteps comparable to the dynamical timescale of interest. Here, we generalize the method to employ non-uniform meshes via a curvilinear map. The key enabling technology is a hybrid particle pusher [2], with particle positions updated in logical space and particle velocities updated in physical space. The self-adaptive, charge-conserving particle mover of Ref. [1] is extended to the non-uniform mesh case. The fully implicit implementation, using a Jacobian-free Newton-Krylov iterative solver, remains exactly charge- and energy-conserving. The extension of the formulation to multiple dimensions will be discussed. We present numerical experiments of 1D electrostatic, long-timescale ion-acoustic wave and ion-acoustic shock wave simulations, demonstrating that charge and energy are conserved to round-off for arbitrary mesh non-uniformity, and that the total momentum remains well conserved.[4pt] [1] Chen, Chac'on, Barnes, J. Comput. Phys. 230 (2011). [0pt] [2] Camporeale and Delzanno, Bull. Am. Phys. Soc. 56(6) (2011); Wang, et al., J. Plasma Physics, 61 (1999).

Finite Volume Element (FVE) discretization and multilevel solution of the axisymmetric heat equation

NASA Astrophysics Data System (ADS)

Litaker, Eric T.

1994-12-01

The axisymmetric heat equation, resulting from a point-source of heat applied to a metal block, is solved numerically; both iterative and multilevel solutions are computed in order to compare the two processes. The continuum problem is discretized in two stages: finite differences are used to discretize the time derivatives, resulting is a fully implicit backward time-stepping scheme, and the Finite Volume Element (FVE) method is used to discretize the spatial derivatives. The application of the FVE method to a problem in cylindrical coordinates is new, and results in stencils which are analyzed extensively. Several iteration schemes are considered, including both Jacobi and Gauss-Seidel; a thorough analysis of these schemes is done, using both the spectral radii of the iteration matrices and local mode analysis. Using this discretization, a Gauss-Seidel relaxation scheme is used to solve the heat equation iteratively. A multilevel solution process is then constructed, including the development of intergrid transfer and coarse grid operators. Local mode analysis is performed on the components of the amplification matrix, resulting in the two-level convergence factors for various combinations of the operators. A multilevel solution process is implemented by using multigrid V-cycles; the iterative and multilevel results are compared and discussed in detail. The computational savings resulting from the multilevel process are then discussed.

Proteus two-dimensional Navier-Stokes computer code, version 2.0. Volume 2: User's guide

NASA Technical Reports Server (NTRS)

Towne, Charles E.; Schwab, John R.; Bui, Trong T.

1993-01-01

A computer code called Proteus 2D was developed to solve the two-dimensional planar or axisymmetric, Reynolds-averaged, unsteady compressible Navier-Stokes equations in strong conservation law form. The objective in this effort was to develop a code for aerospace propulsion applications that is easy to use and easy to modify. Code readability, modularity, and documentation were emphasized. The governing equations are solved in generalized nonorthogonal body-fitted coordinates, by marching in time using a fully-coupled ADI solution procedure. The boundary conditions are treated implicitly. All terms, including the diffusion terms, are linearized using second-order Taylor series expansions. Turbulence is modeled using either an algebraic or two-equation eddy viscosity model. The thin-layer or Euler equations may also be solved. The energy equation may be eliminated by the assumption of constant total enthalpy. Explicit and implicit artificial viscosity may be used. Several time step options are available for convergence acceleration. The documentation is divided into three volumes. This is the User's Guide, and describes the program's features, the input and output, the procedure for setting up initial conditions, the computer resource requirements, the diagnostic messages that may be generated, the job control language used to run the program, and several test cases.

Fully Coupled Nonlinear Fluid Flow and Poroelasticity in Arbitrarily Fractured Porous Media: A Hybrid-Dimensional Computational Model

NASA Astrophysics Data System (ADS)

Jin, L.; Zoback, M. D.

2017-10-01

We formulate the problem of fully coupled transient fluid flow and quasi-static poroelasticity in arbitrarily fractured, deformable porous media saturated with a single-phase compressible fluid. The fractures we consider are hydraulically highly conductive, allowing discontinuous fluid flux across them; mechanically, they act as finite-thickness shear deformation zones prior to failure (i.e., nonslipping and nonpropagating), leading to "apparent discontinuity" in strain and stress across them. Local nonlinearity arising from pressure-dependent permeability of fractures is also included. Taking advantage of typically high aspect ratio of a fracture, we do not resolve transversal variations and instead assume uniform flow velocity and simple shear strain within each fracture, rendering the coupled problem numerically more tractable. Fractures are discretized as lower dimensional zero-thickness elements tangentially conforming to unstructured matrix elements. A hybrid-dimensional, equal-low-order, two-field mixed finite element method is developed, which is free from stability issues for a drained coupled system. The fully implicit backward Euler scheme is employed for advancing the fully coupled solution in time, and the Newton-Raphson scheme is implemented for linearization. We show that the fully discretized system retains a canonical form of a fracture-free poromechanical problem; the effect of fractures is translated to the modification of some existing terms as well as the addition of several terms to the capacity, conductivity, and stiffness matrices therefore allowing the development of independent subroutines for treating fractures within a standard computational framework. Our computational model provides more realistic inputs for some fracture-dominated poromechanical problems like fluid-induced seismicity.

Implicit methods for the Navier-Stokes equations

NASA Technical Reports Server (NTRS)

Yoon, S.; Kwak, D.

1990-01-01

Numerical solutions of the Navier-Stokes equations using explicit schemes can be obtained at the expense of efficiency. Conventional implicit methods which often achieve fast convergence rates suffer high cost per iteration. A new implicit scheme based on lower-upper factorization and symmetric Gauss-Seidel relaxation offers very low cost per iteration as well as fast convergence. High efficiency is achieved by accomplishing the complete vectorizability of the algorithm on oblique planes of sweep in three dimensions.

An implicit dispersive transport algorithm for the US Geological Survey MOC3D solute-transport model

USGS Publications Warehouse

Kipp, K.L.; Konikow, Leonard F.; Hornberger, G.Z.

1998-01-01

This report documents an extension to the U.S. Geological Survey MOC3D transport model that incorporates an implicit-in-time difference approximation for the dispersive transport equation, including source/sink terms. The original MOC3D transport model (Version 1) uses the method of characteristics to solve the transport equation on the basis of the velocity field. The original MOC3D solution algorithm incorporates particle tracking to represent advective processes and an explicit finite-difference formulation to calculate dispersive fluxes. The new implicit procedure eliminates several stability criteria required for the previous explicit formulation. This allows much larger transport time increments to be used in dispersion-dominated problems. The decoupling of advective and dispersive transport in MOC3D, however, is unchanged. With the implicit extension, the MOC3D model is upgraded to Version 2. A description of the numerical method of the implicit dispersion calculation, the data-input requirements and output options, and the results of simulator testing and evaluation are presented. Version 2 of MOC3D was evaluated for the same set of problems used for verification of Version 1. These test results indicate that the implicit calculation of Version 2 matches the accuracy of Version 1, yet is more efficient than the explicit calculation for transport problems that are characterized by a grid Peclet number less than about 1.0.

Forebody and base region real gas flow in severe planetary entry by a factored implicit numerical method. II - Equilibrium reactive gas

NASA Technical Reports Server (NTRS)

Davy, W. C.; Green, M. J.; Lombard, C. K.

1981-01-01

The factored-implicit, gas-dynamic algorithm has been adapted to the numerical simulation of equilibrium reactive flows. Changes required in the perfect gas version of the algorithm are developed, and the method of coupling gas-dynamic and chemistry variables is discussed. A flow-field solution that approximates a Jovian entry case was obtained by this method and compared with the same solution obtained by HYVIS, a computer program much used for the study of planetary entry. Comparison of surface pressure distribution and stagnation line shock-layer profiles indicates that the two solutions agree well.

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

Chacon, Luis; Stanier, Adam John

Here, we demonstrate a scalable fully implicit algorithm for the two-field low-β extended MHD model. This reduced model describes plasma behavior in the presence of strong guide fields, and is of significant practical impact both in nature and in laboratory plasmas. The model displays strong hyperbolic behavior, as manifested by the presence of fast dispersive waves, which make a fully implicit treatment very challenging. In this study, we employ a Jacobian-free Newton–Krylov nonlinear solver, for which we propose a physics-based preconditioner that renders the linearized set of equations suitable for inversion with multigrid methods. As a result, the algorithm ismore » shown to scale both algorithmically (i.e., the iteration count is insensitive to grid refinement and timestep size) and in parallel in a weak-scaling sense, with the wall-clock time scaling weakly with the number of cores for up to 4096 cores. For a 4096 × 4096 mesh, we demonstrate a wall-clock-time speedup of ~6700 with respect to explicit algorithms. The model is validated linearly (against linear theory predictions) and nonlinearly (against fully kinetic simulations), demonstrating excellent agreement.« less

IMPLEMENTATION AND VALIDATION OF A FULLY IMPLICIT ACCUMULATOR MODEL IN RELAP-7

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

Zhao, Haihua; Zou, Ling; Zhang, Hongbin

2016-01-01

This paper presents the implementation and validation of an accumulator model in RELAP-7 under the framework of preconditioned Jacobian free Newton Krylov (JFNK) method, based on the similar model used in RELAP5. RELAP-7 is a new nuclear reactor system safety analysis code being developed at the Idaho National Laboratory (INL). RELAP-7 is a fully implicit system code. The JFNK and preconditioning methods used in RELAP-7 is briefly discussed. The slightly modified accumulator model is summarized for completeness. The implemented model was validated with LOFT L3-1 test and benchmarked with RELAP5 results. RELAP-7 and RELAP5 had almost identical results for themore » accumulator gas pressure and water level, although there were some minor difference in other parameters such as accumulator gas temperature and tank wall temperature. One advantage of the JFNK method is its easiness to maintain and modify models due to fully separation of numerical methods from physical models. It would be straightforward to extend the current RELAP-7 accumulator model to simulate the advanced accumulator design.« less

Recent applications of the transonic wing analysis computer code, TWING

NASA Technical Reports Server (NTRS)

Subramanian, N. R.; Holst, T. L.; Thomas, S. D.

1982-01-01

An evaluation of the transonic-wing-analysis computer code TWING is given. TWING utilizes a fully implicit approximate factorization iteration scheme to solve the full potential equation in conservative form. A numerical elliptic-solver grid-generation scheme is used to generate the required finite-difference mesh. Several wing configurations were analyzed, and the limits of applicability of this code was evaluated. Comparisons of computed results were made with available experimental data. Results indicate that the code is robust, accurate (when significant viscous effects are not present), and efficient. TWING generally produces solutions an order of magnitude faster than other conservative full potential codes using successive-line overrelaxation. The present method is applicable to a wide range of isolated wing configurations including high-aspect-ratio transport wings and low-aspect-ratio, high-sweep, fighter configurations.

CFD analysis of a twin scroll radial turbine

NASA Astrophysics Data System (ADS)

Fürst, Jiří; Žák, Zdenĕk

2018-06-01

The contribution deals with the application of coupled implicit solver for compressible flows to CFD analysis of a twin scroll radial turbine. The solver is based on the finite volume method, convective terms are approximated using AUSM+up scheme, viscous terms use central approximation and the time evolution is achieved with lower-upper symmetric Gauss-Seidel (LU-SGS) method. The solver allows steady simulation with the so called frozen rotor approach as well as the fully unsteady solution. Both approaches are at first validated for the case of ERCOFTAC pump [1]. Then the CFD analysis of the flow through a twin scroll radial turbine and the predictions of the efficiency and turbine power is performed and the results are compared to experimental data obtained in the framework of Josef Božek - Competence Centre for Automotive Industry.

Beyond Euler's Method: Implicit Finite Differences in an Introductory ODE Course

ERIC Educational Resources Information Center

Kull, Trent C.

2011-01-01

A typical introductory course in ordinary differential equations (ODEs) exposes students to exact solution methods. However, many differential equations must be approximated with numerical methods. Textbooks commonly include explicit methods such as Euler's and Improved Euler's. Implicit methods are typically introduced in more advanced courses…

Simulation of separated flow past a bluff body using Navier-Stokes equations

NASA Technical Reports Server (NTRS)

Ghia, K. N.; Ghia, U.; Osswald, G. A.; Liu, C. A.

1987-01-01

Two-dimensional flow past a bluff body is presently simulated on the basis of an analysis that employs the incompressible, unsteady Navier-Stokes equations in terms of vorticity and stream function. The fully implicit, time-marching, alternating-direction, implicit-block Gaussian elimination used is a direct method with second-order spatial accuracy; this allows it to avoid the introduction of any artificial viscosity. Attention is given to the simulation of flow past a circular cylinder with and without symmetry, requiring the use of either the half or the full cylinder, respectively.

A GPU-accelerated semi-implicit fractional-step method for numerical solutions of incompressible Navier-Stokes equations

NASA Astrophysics Data System (ADS)

Ha, Sanghyun; Park, Junshin; You, Donghyun

2018-01-01

Utility of the computational power of Graphics Processing Units (GPUs) is elaborated for solutions of incompressible Navier-Stokes equations which are integrated using a semi-implicit fractional-step method. The Alternating Direction Implicit (ADI) and the Fourier-transform-based direct solution methods used in the semi-implicit fractional-step method take advantage of multiple tridiagonal matrices whose inversion is known as the major bottleneck for acceleration on a typical multi-core machine. A novel implementation of the semi-implicit fractional-step method designed for GPU acceleration of the incompressible Navier-Stokes equations is presented. Aspects of the programing model of Compute Unified Device Architecture (CUDA), which are critical to the bandwidth-bound nature of the present method are discussed in detail. A data layout for efficient use of CUDA libraries is proposed for acceleration of tridiagonal matrix inversion and fast Fourier transform. OpenMP is employed for concurrent collection of turbulence statistics on a CPU while the Navier-Stokes equations are computed on a GPU. Performance of the present method using CUDA is assessed by comparing the speed of solving three tridiagonal matrices using ADI with the speed of solving one heptadiagonal matrix using a conjugate gradient method. An overall speedup of 20 times is achieved using a Tesla K40 GPU in comparison with a single-core Xeon E5-2660 v3 CPU in simulations of turbulent boundary-layer flow over a flat plate conducted on over 134 million grids. Enhanced performance of 48 times speedup is reached for the same problem using a Tesla P100 GPU.

Development of an upwind, finite-volume code with finite-rate chemistry

NASA Technical Reports Server (NTRS)

Molvik, Gregory A.

1995-01-01

Under this grant, two numerical algorithms were developed to predict the flow of viscous, hypersonic, chemically reacting gases over three-dimensional bodies. Both algorithms take advantage of the benefits of upwind differencing, total variation diminishing techniques and of a finite-volume framework, but obtain their solution in two separate manners. The first algorithm is a zonal, time-marching scheme, and is generally used to obtain solutions in the subsonic portions of the flow field. The second algorithm is a much less expensive, space-marching scheme and can be used for the computation of the larger, supersonic portion of the flow field. Both codes compute their interface fluxes with a temporal Riemann solver and the resulting schemes are made fully implicit including the chemical source terms and boundary conditions. Strong coupling is used between the fluid dynamic, chemical and turbulence equations. These codes have been validated on numerous hypersonic test cases and have provided excellent comparison with existing data. This report summarizes the research that took place from August 1,1994 to January 1, 1995.

Stabilized FE simulation of prototype thermal-hydraulics problems with integrated adjoint-based capabilities

NASA Astrophysics Data System (ADS)

Shadid, J. N.; Smith, T. M.; Cyr, E. C.; Wildey, T. M.; Pawlowski, R. P.

2016-09-01

A critical aspect of applying modern computational solution methods to complex multiphysics systems of relevance to nuclear reactor modeling, is the assessment of the predictive capability of specific proposed mathematical models. In this respect the understanding of numerical error, the sensitivity of the solution to parameters associated with input data, boundary condition uncertainty, and mathematical models is critical. Additionally, the ability to evaluate and or approximate the model efficiently, to allow development of a reasonable level of statistical diagnostics of the mathematical model and the physical system, is of central importance. In this study we report on initial efforts to apply integrated adjoint-based computational analysis and automatic differentiation tools to begin to address these issues. The study is carried out in the context of a Reynolds averaged Navier-Stokes approximation to turbulent fluid flow and heat transfer using a particular spatial discretization based on implicit fully-coupled stabilized FE methods. Initial results are presented that show the promise of these computational techniques in the context of nuclear reactor relevant prototype thermal-hydraulics problems.

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

Lin, Paul T.; Shadid, John N.; Tsuji, Paul H.

Here, this study explores the performance and scaling of a GMRES Krylov method employed as a smoother for an algebraic multigrid (AMG) preconditioned Newton- Krylov solution approach applied to a fully-implicit variational multiscale (VMS) nite element (FE) resistive magnetohydrodynamics (MHD) formulation. In this context a Newton iteration is used for the nonlinear system and a Krylov (GMRES) method is employed for the linear subsystems. The efficiency of this approach is critically dependent on the scalability and performance of the AMG preconditioner for the linear solutions and the performance of the smoothers play a critical role. Krylov smoothers are considered inmore » an attempt to reduce the time and memory requirements of existing robust smoothers based on additive Schwarz domain decomposition (DD) with incomplete LU factorization solves on each subdomain. Three time dependent resistive MHD test cases are considered to evaluate the method. The results demonstrate that the GMRES smoother can be faster due to a decrease in the preconditioner setup time and a reduction in outer GMRESR solver iterations, and requires less memory (typically 35% less memory for global GMRES smoother) than the DD ILU smoother.« less

Mathematical modeling of polymer flooding using the unstructured Voronoi grid

NASA Astrophysics Data System (ADS)

Kireev, T. F.; Bulgakova, G. T.; Khatmullin, I. F.

2017-12-01

Effective recovery of unconventional oil reserves necessitates development of enhanced oil recovery techniques such as polymer flooding. The study investigated the model of polymer flooding with effects of adsorption and water salinity. The model takes into account six components that include elements of the classic black oil model. These components are polymer, salt, water, dead oil, dry gas and dissolved gas. Solution of the problem is obtained by finite volume method on unstructured Voronoi grid using fully implicit scheme and the Newton’s method. To compare several different grid configurations numerical simulation of polymer flooding is performed. The oil rates obtained by a hexagonal locally refined Voronoi grid are shown to be more accurate than the oil rates obtained by a rectangular grid with the same number of cells. The latter effect is caused by high solution accuracy near the wells due to the local grid refinement. Minimization of the grid orientation effect caused by the hexagonal pattern is also demonstrated. However, in the inter-well regions with large Voronoi cells flood front tends to flatten and the water breakthrough moment is smoothed.

Stabilized FE simulation of prototype thermal-hydraulics problems with integrated adjoint-based capabilities

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

Shadid, J.N., E-mail: jnshadi@sandia.gov; Department of Mathematics and Statistics, University of New Mexico; Smith, T.M.

A critical aspect of applying modern computational solution methods to complex multiphysics systems of relevance to nuclear reactor modeling, is the assessment of the predictive capability of specific proposed mathematical models. In this respect the understanding of numerical error, the sensitivity of the solution to parameters associated with input data, boundary condition uncertainty, and mathematical models is critical. Additionally, the ability to evaluate and or approximate the model efficiently, to allow development of a reasonable level of statistical diagnostics of the mathematical model and the physical system, is of central importance. In this study we report on initial efforts tomore » apply integrated adjoint-based computational analysis and automatic differentiation tools to begin to address these issues. The study is carried out in the context of a Reynolds averaged Navier–Stokes approximation to turbulent fluid flow and heat transfer using a particular spatial discretization based on implicit fully-coupled stabilized FE methods. Initial results are presented that show the promise of these computational techniques in the context of nuclear reactor relevant prototype thermal-hydraulics problems.« less

Stabilized FE simulation of prototype thermal-hydraulics problems with integrated adjoint-based capabilities

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

Shadid, J. N.; Smith, T. M.; Cyr, E. C.

A critical aspect of applying modern computational solution methods to complex multiphysics systems of relevance to nuclear reactor modeling, is the assessment of the predictive capability of specific proposed mathematical models. The understanding of numerical error, the sensitivity of the solution to parameters associated with input data, boundary condition uncertainty, and mathematical models is critical. Additionally, the ability to evaluate and or approximate the model efficiently, to allow development of a reasonable level of statistical diagnostics of the mathematical model and the physical system, is of central importance. In our study we report on initial efforts to apply integrated adjoint-basedmore » computational analysis and automatic differentiation tools to begin to address these issues. The study is carried out in the context of a Reynolds averaged Navier–Stokes approximation to turbulent fluid flow and heat transfer using a particular spatial discretization based on implicit fully-coupled stabilized FE methods. We present the initial results that show the promise of these computational techniques in the context of nuclear reactor relevant prototype thermal-hydraulics problems.« less

Stabilized FE simulation of prototype thermal-hydraulics problems with integrated adjoint-based capabilities

DOE PAGES

Shadid, J. N.; Smith, T. M.; Cyr, E. C.; ...

2016-05-20

A critical aspect of applying modern computational solution methods to complex multiphysics systems of relevance to nuclear reactor modeling, is the assessment of the predictive capability of specific proposed mathematical models. The understanding of numerical error, the sensitivity of the solution to parameters associated with input data, boundary condition uncertainty, and mathematical models is critical. Additionally, the ability to evaluate and or approximate the model efficiently, to allow development of a reasonable level of statistical diagnostics of the mathematical model and the physical system, is of central importance. In our study we report on initial efforts to apply integrated adjoint-basedmore » computational analysis and automatic differentiation tools to begin to address these issues. The study is carried out in the context of a Reynolds averaged Navier–Stokes approximation to turbulent fluid flow and heat transfer using a particular spatial discretization based on implicit fully-coupled stabilized FE methods. We present the initial results that show the promise of these computational techniques in the context of nuclear reactor relevant prototype thermal-hydraulics problems.« less

Semi-implicit iterative methods for low Mach number turbulent reacting flows: Operator splitting versus approximate factorization

NASA Astrophysics Data System (ADS)

MacArt, Jonathan F.; Mueller, Michael E.

2016-12-01

Two formally second-order accurate, semi-implicit, iterative methods for the solution of scalar transport-reaction equations are developed for Direct Numerical Simulation (DNS) of low Mach number turbulent reacting flows. The first is a monolithic scheme based on a linearly implicit midpoint method utilizing an approximately factorized exact Jacobian of the transport and reaction operators. The second is an operator splitting scheme based on the Strang splitting approach. The accuracy properties of these schemes, as well as their stability, cost, and the effect of chemical mechanism size on relative performance, are assessed in two one-dimensional test configurations comprising an unsteady premixed flame and an unsteady nonpremixed ignition, which have substantially different Damköhler numbers and relative stiffness of transport to chemistry. All schemes demonstrate their formal order of accuracy in the fully-coupled convergence tests. Compared to a (non-)factorized scheme with a diagonal approximation to the chemical Jacobian, the monolithic, factorized scheme using the exact chemical Jacobian is shown to be both more stable and more economical. This is due to an improved convergence rate of the iterative procedure, and the difference between the two schemes in convergence rate grows as the time step increases. The stability properties of the Strang splitting scheme are demonstrated to outpace those of Lie splitting and monolithic schemes in simulations at high Damköhler number; however, in this regime, the monolithic scheme using the approximately factorized exact Jacobian is found to be the most economical at practical CFL numbers. The performance of the schemes is further evaluated in a simulation of a three-dimensional, spatially evolving, turbulent nonpremixed planar jet flame.

High-Order Implicit-Explicit Multi-Block Time-stepping Method for Hyperbolic PDEs

NASA Technical Reports Server (NTRS)

Nielsen, Tanner B.; Carpenter, Mark H.; Fisher, Travis C.; Frankel, Steven H.

2014-01-01

This work seeks to explore and improve the current time-stepping schemes used in computational fluid dynamics (CFD) in order to reduce overall computational time. A high-order scheme has been developed using a combination of implicit and explicit (IMEX) time-stepping Runge-Kutta (RK) schemes which increases numerical stability with respect to the time step size, resulting in decreased computational time. The IMEX scheme alone does not yield the desired increase in numerical stability, but when used in conjunction with an overlapping partitioned (multi-block) domain significant increase in stability is observed. To show this, the Overlapping-Partition IMEX (OP IMEX) scheme is applied to both one-dimensional (1D) and two-dimensional (2D) problems, the nonlinear viscous Burger's equation and 2D advection equation, respectively. The method uses two different summation by parts (SBP) derivative approximations, second-order and fourth-order accurate. The Dirichlet boundary conditions are imposed using the Simultaneous Approximation Term (SAT) penalty method. The 6-stage additive Runge-Kutta IMEX time integration schemes are fourth-order accurate in time. An increase in numerical stability 65 times greater than the fully explicit scheme is demonstrated to be achievable with the OP IMEX method applied to 1D Burger's equation. Results from the 2D, purely convective, advection equation show stability increases on the order of 10 times the explicit scheme using the OP IMEX method. Also, the domain partitioning method in this work shows potential for breaking the computational domain into manageable sizes such that implicit solutions for full three-dimensional CFD simulations can be computed using direct solving methods rather than the standard iterative methods currently used.

Convergence Acceleration of Runge-Kutta Schemes for Solving the Navier-Stokes Equations

NASA Technical Reports Server (NTRS)

Swanson, Roy C., Jr.; Turkel, Eli; Rossow, C.-C.

2007-01-01

The convergence of a Runge-Kutta (RK) scheme with multigrid is accelerated by preconditioning with a fully implicit operator. With the extended stability of the Runge-Kutta scheme, CFL numbers as high as 1000 can be used. The implicit preconditioner addresses the stiffness in the discrete equations associated with stretched meshes. This RK/implicit scheme is used as a smoother for multigrid. Fourier analysis is applied to determine damping properties. Numerical dissipation operators based on the Roe scheme, a matrix dissipation, and the CUSP scheme are considered in evaluating the RK/implicit scheme. In addition, the effect of the number of RK stages is examined. Both the numerical and computational efficiency of the scheme with the different dissipation operators are discussed. The RK/implicit scheme is used to solve the two-dimensional (2-D) and three-dimensional (3-D) compressible, Reynolds-averaged Navier-Stokes equations. Turbulent flows over an airfoil and wing at subsonic and transonic conditions are computed. The effects of the cell aspect ratio on convergence are investigated for Reynolds numbers between 5:7 x 10(exp 6) and 100 x 10(exp 6). It is demonstrated that the implicit preconditioner can reduce the computational time of a well-tuned standard RK scheme by a factor between four and ten.

A computational procedure for large rotational motions in multibody dynamics

NASA Technical Reports Server (NTRS)

Park, K. C.; Chiou, J. C.

1987-01-01

A computational procedure suitable for the solution of equations of motion for multibody systems is presented. The present procedure adopts a differential partitioning of the translational motions and the rotational motions. The translational equations of motion are then treated by either a conventional explicit or an implicit direct integration method. A principle feature of this procedure is a nonlinearly implicit algorithm for updating rotations via the Euler four-parameter representation. This procedure is applied to the rolling of a sphere through a specific trajectory, which shows that it yields robust solutions.

Salt-water-freshwater transient upconing - An implicit boundary-element solution

USGS Publications Warehouse

Kemblowski, M.

1985-01-01

The boundary-element method is used to solve the set of partial differential equations describing the flow of salt water and fresh water separated by a sharp interface in the vertical plane. In order to improve the accuracy and stability of the numerical solution, a new implicit scheme was developed for calculating the motion of the interface. The performance of this scheme was tested by means of numerical simulation. The numerical results are compared to experimental results for a salt-water upconing under a drain problem. ?? 1985.

An Implicit Solver on A Parallel Block-Structured Adaptive Mesh Grid for FLASH

NASA Astrophysics Data System (ADS)

Lee, D.; Gopal, S.; Mohapatra, P.

2012-07-01

We introduce a fully implicit solver for FLASH based on a Jacobian-Free Newton-Krylov (JFNK) approach with an appropriate preconditioner. The main goal of developing this JFNK-type implicit solver is to provide efficient high-order numerical algorithms and methodology for simulating stiff systems of differential equations on large-scale parallel computer architectures. A large number of natural problems in nonlinear physics involve a wide range of spatial and time scales of interest. A system that encompasses such a wide magnitude of scales is described as "stiff." A stiff system can arise in many different fields of physics, including fluid dynamics/aerodynamics, laboratory/space plasma physics, low Mach number flows, reactive flows, radiation hydrodynamics, and geophysical flows. One of the big challenges in solving such a stiff system using current-day computational resources lies in resolving time and length scales varying by several orders of magnitude. We introduce FLASH's preliminary implementation of a time-accurate JFNK-based implicit solver in the framework of FLASH's unsplit hydro solver.

Studies of implicit and explicit solution techniques in transient thermal analysis of structures

NASA Technical Reports Server (NTRS)

Adelman, H. M.; Haftka, R. T.; Robinson, J. C.

1982-01-01

Studies aimed at an increase in the efficiency of calculating transient temperature fields in complex aerospace vehicle structures are reported. The advantages and disadvantages of explicit and implicit algorithms are discussed and a promising set of implicit algorithms with variable time steps, known as GEARIB, is described. Test problems, used for evaluating and comparing various algorithms, are discussed and finite element models of the configurations are described. These problems include a coarse model of the Space Shuttle wing, an insulated frame tst article, a metallic panel for a thermal protection system, and detailed models of sections of the Space Shuttle wing. Results generally indicate a preference for implicit over explicit algorithms for transient structural heat transfer problems when the governing equations are stiff (typical of many practical problems such as insulated metal structures). The effects on algorithm performance of different models of an insulated cylinder are demonstrated. The stiffness of the problem is highly sensitive to modeling details and careful modeling can reduce the stiffness of the equations to the extent that explicit methods may become the best choice. Preliminary applications of a mixed implicit-explicit algorithm and operator splitting techniques for speeding up the solution of the algebraic equations are also described.

Studies of implicit and explicit solution techniques in transient thermal analysis of structures

NASA Astrophysics Data System (ADS)

Adelman, H. M.; Haftka, R. T.; Robinson, J. C.

1982-08-01

Studies aimed at an increase in the efficiency of calculating transient temperature fields in complex aerospace vehicle structures are reported. The advantages and disadvantages of explicit and implicit algorithms are discussed and a promising set of implicit algorithms with variable time steps, known as GEARIB, is described. Test problems, used for evaluating and comparing various algorithms, are discussed and finite element models of the configurations are described. These problems include a coarse model of the Space Shuttle wing, an insulated frame tst article, a metallic panel for a thermal protection system, and detailed models of sections of the Space Shuttle wing. Results generally indicate a preference for implicit over explicit algorithms for transient structural heat transfer problems when the governing equations are stiff (typical of many practical problems such as insulated metal structures). The effects on algorithm performance of different models of an insulated cylinder are demonstrated. The stiffness of the problem is highly sensitive to modeling details and careful modeling can reduce the stiffness of the equations to the extent that explicit methods may become the best choice. Preliminary applications of a mixed implicit-explicit algorithm and operator splitting techniques for speeding up the solution of the algebraic equations are also described.

A deterministic particle method for one-dimensional reaction-diffusion equations

NASA Technical Reports Server (NTRS)

Mascagni, Michael

1995-01-01

We derive a deterministic particle method for the solution of nonlinear reaction-diffusion equations in one spatial dimension. This deterministic method is an analog of a Monte Carlo method for the solution of these problems that has been previously investigated by the author. The deterministic method leads to the consideration of a system of ordinary differential equations for the positions of suitably defined particles. We then consider the time explicit and implicit methods for this system of ordinary differential equations and we study a Picard and Newton iteration for the solution of the implicit system. Next we solve numerically this system and study the discretization error both analytically and numerically. Numerical computation shows that this deterministic method is automatically adaptive to large gradients in the solution.

Conservative tightly-coupled simulations of stochastic multiscale systems

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

Taverniers, Søren; Pigarov, Alexander Y.; Tartakovsky, Daniel M., E-mail: dmt@ucsd.edu

2016-05-15

Multiphysics problems often involve components whose macroscopic dynamics is driven by microscopic random fluctuations. The fidelity of simulations of such systems depends on their ability to propagate these random fluctuations throughout a computational domain, including subdomains represented by deterministic solvers. When the constituent processes take place in nonoverlapping subdomains, system behavior can be modeled via a domain-decomposition approach that couples separate components at the interfaces between these subdomains. Its coupling algorithm has to maintain a stable and efficient numerical time integration even at high noise strength. We propose a conservative domain-decomposition algorithm in which tight coupling is achieved by employingmore » either Picard's or Newton's iterative method. Coupled diffusion equations, one of which has a Gaussian white-noise source term, provide a computational testbed for analysis of these two coupling strategies. Fully-converged (“implicit”) coupling with Newton's method typically outperforms its Picard counterpart, especially at high noise levels. This is because the number of Newton iterations scales linearly with the amplitude of the Gaussian noise, while the number of Picard iterations can scale superlinearly. At large time intervals between two subsequent inter-solver communications, the solution error for single-iteration (“explicit”) Picard's coupling can be several orders of magnitude higher than that for implicit coupling. Increasing the explicit coupling's communication frequency reduces this difference, but the resulting increase in computational cost can make it less efficient than implicit coupling at similar levels of solution error, depending on the communication frequency of the latter and the noise strength. This trend carries over into higher dimensions, although at high noise strength explicit coupling may be the only computationally viable option.« less

Explicit and implicit springback simulation in sheet metal forming using fully coupled ductile damage and distortional hardening model

NASA Astrophysics Data System (ADS)

Yetna n'jock, M.; Houssem, B.; Labergere, C.; Saanouni, K.; Zhenming, Y.

2018-05-01

The springback is an important phenomenon which accompanies the forming of metallic sheets especially for high strength materials. A quantitative prediction of springback becomes very important for newly developed material with high mechanical characteristics. In this work, a numerical methodology is developed to quantify this undesirable phenomenon. This methodoly is based on the use of both explicit and implicit finite element solvers of Abaqus®. The most important ingredient of this methodology consists on the use of highly predictive mechanical model. A thermodynamically-consistent, non-associative and fully anisotropic elastoplastic constitutive model strongly coupled with isotropic ductile damage and accounting for distortional hardening is then used. An algorithm for local integration of the complete set of the constitutive equations is developed. This algorithm considers the rotated frame formulation (RFF) to ensure the incremental objectivity of the model in the framework of finite strains. This algorithm is implemented in both explicit (Abaqus/Explicit®) and implicit (Abaqus/Standard®) solvers of Abaqus® through the users routine VUMAT and UMAT respectively. The implicit solver of Abaqus® has been used to study spingback as it is generally a quasi-static unloading. In order to compare the methods `efficiency, the explicit method (Dynamic Relaxation Method) proposed by Rayleigh has been also used for springback prediction. The results obtained within U draw/bending benchmark are studied, discussed and compared with experimental results as reference. Finally, the purpose of this work is to evaluate the reliability of different methods predict efficiently springback in sheet metal forming.

Fully implicit adaptive mesh refinement algorithm for reduced MHD

NASA Astrophysics Data System (ADS)

Philip, Bobby; Pernice, Michael; Chacon, Luis

2006-10-01

In the macroscopic simulation of plasmas, the numerical modeler is faced with the challenge of dealing with multiple time and length scales. Traditional approaches based on explicit time integration techniques and fixed meshes are not suitable for this challenge, as such approaches prevent the modeler from using realistic plasma parameters to keep the computation feasible. We propose here a novel approach, based on implicit methods and structured adaptive mesh refinement (SAMR). Our emphasis is on both accuracy and scalability with the number of degrees of freedom. As a proof-of-principle, we focus on the reduced resistive MHD model as a basic MHD model paradigm, which is truly multiscale. The approach taken here is to adapt mature physics-based technology to AMR grids, and employ AMR-aware multilevel techniques (such as fast adaptive composite grid --FAC-- algorithms) for scalability. We demonstrate that the concept is indeed feasible, featuring near-optimal scalability under grid refinement. Results of fully-implicit, dynamically-adaptive AMR simulations in challenging dissipation regimes will be presented on a variety of problems that benefit from this capability, including tearing modes, the island coalescence instability, and the tilt mode instability. L. Chac'on et al., J. Comput. Phys. 178 (1), 15- 36 (2002) B. Philip, M. Pernice, and L. Chac'on, Lecture Notes in Computational Science and Engineering, accepted (2006)

An implicit boundary integral method for computing electric potential of macromolecules in solvent

NASA Astrophysics Data System (ADS)

Zhong, Yimin; Ren, Kui; Tsai, Richard

2018-04-01

A numerical method using implicit surface representations is proposed to solve the linearized Poisson-Boltzmann equation that arises in mathematical models for the electrostatics of molecules in solvent. The proposed method uses an implicit boundary integral formulation to derive a linear system defined on Cartesian nodes in a narrowband surrounding the closed surface that separates the molecule and the solvent. The needed implicit surface is constructed from the given atomic description of the molecules, by a sequence of standard level set algorithms. A fast multipole method is applied to accelerate the solution of the linear system. A few numerical studies involving some standard test cases are presented and compared to other existing results.

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

Emotion effects on implicit and explicit musical memory in normal aging.

PubMed

Narme, Pauline; Peretz, Isabelle; Strub, Marie-Laure; Ergis, Anne-Marie

2016-12-01

Normal aging affects explicit memory while leaving implicit memory relatively spared. Normal aging also modifies how emotions are processed and experienced, with increasing evidence that older adults (OAs) focus more on positive information than younger adults (YAs). The aim of the present study was to investigate how age-related changes in emotion processing influence explicit and implicit memory. We used emotional melodies that differed in terms of valence (positive or negative) and arousal (high or low). Implicit memory was assessed with a preference task exploiting exposure effects, and explicit memory with a recognition task. Results indicated that effects of valence and arousal interacted to modulate both implicit and explicit memory in YAs. In OAs, recognition was poorer than in YAs; however, recognition of positive and high-arousal (happy) studied melodies was comparable. Insofar as socioemotional selectivity theory (SST) predicts a preservation of the recognition of positive information, our findings are not fully consistent with the extension of this theory to positive melodies since recognition of low-arousal (peaceful) studied melodies was poorer in OAs. In the preference task, YAs showed stronger exposure effects than OAs, suggesting an age-related decline of implicit memory. This impairment is smaller than the one observed for explicit memory (recognition), extending to the musical domain the dissociation between explicit memory decline and implicit memory relative preservation in aging. Finally, the disproportionate preference for positive material seen in OAs did not translate into stronger exposure effects for positive material suggesting no age-related emotional bias in implicit memory. (PsycINFO Database Record (c) 2016 APA, all rights reserved).

Aerodynamics of Engine-Airframe Interaction

NASA Technical Reports Server (NTRS)

Caughey, D. A.

1986-01-01

The report describes progress in research directed towards the efficient solution of the inviscid Euler and Reynolds-averaged Navier-Stokes equations for transonic flows through engine inlets, and past complete aircraft configurations, with emphasis on the flowfields in the vicinity of engine inlets. The research focusses upon the development of solution-adaptive grid procedures for these problems, and the development of multi-grid algorithms in conjunction with both, implicit and explicit time-stepping schemes for the solution of three-dimensional problems. The work includes further development of mesh systems suitable for inlet and wing-fuselage-inlet geometries using a variational approach. Work during this reporting period concentrated upon two-dimensional problems, and has been in two general areas: (1) the development of solution-adaptive procedures to cluster the grid cells in regions of high (truncation) error;and (2) the development of a multigrid scheme for solution of the two-dimensional Euler equations using a diagonalized alternating direction implicit (ADI) smoothing algorithm.

A GPU-accelerated semi-implicit fractional step method for numerical solutions of incompressible Navier-Stokes equations

NASA Astrophysics Data System (ADS)

Ha, Sanghyun; Park, Junshin; You, Donghyun

2017-11-01

Utility of the computational power of modern Graphics Processing Units (GPUs) is elaborated for solutions of incompressible Navier-Stokes equations which are integrated using a semi-implicit fractional-step method. Due to its serial and bandwidth-bound nature, the present choice of numerical methods is considered to be a good candidate for evaluating the potential of GPUs for solving Navier-Stokes equations using non-explicit time integration. An efficient algorithm is presented for GPU acceleration of the Alternating Direction Implicit (ADI) and the Fourier-transform-based direct solution method used in the semi-implicit fractional-step method. OpenMP is employed for concurrent collection of turbulence statistics on a CPU while Navier-Stokes equations are computed on a GPU. Extension to multiple NVIDIA GPUs is implemented using NVLink supported by the Pascal architecture. Performance of the present method is experimented on multiple Tesla P100 GPUs compared with a single-core Xeon E5-2650 v4 CPU in simulations of boundary-layer flow over a flat plate. Supported by the National Research Foundation of Korea (NRF) Grant funded by the Korea government (Ministry of Science, ICT and Future Planning NRF-2016R1E1A2A01939553, NRF-2014R1A2A1A11049599, and Ministry of Trade, Industry and Energy 201611101000230).

Implicit time accurate simulation of unsteady flow

NASA Astrophysics Data System (ADS)

van Buuren, René; Kuerten, Hans; Geurts, Bernard J.

2001-03-01

Implicit time integration was studied in the context of unsteady shock-boundary layer interaction flow. With an explicit second-order Runge-Kutta scheme, a reference solution to compare with the implicit second-order Crank-Nicolson scheme was determined. The time step in the explicit scheme is restricted by both temporal accuracy as well as stability requirements, whereas in the A-stable implicit scheme, the time step has to obey temporal resolution requirements and numerical convergence conditions. The non-linear discrete equations for each time step are solved iteratively by adding a pseudo-time derivative. The quasi-Newton approach is adopted and the linear systems that arise are approximately solved with a symmetric block Gauss-Seidel solver. As a guiding principle for properly setting numerical time integration parameters that yield an efficient time accurate capturing of the solution, the global error caused by the temporal integration is compared with the error resulting from the spatial discretization. Focus is on the sensitivity of properties of the solution in relation to the time step. Numerical simulations show that the time step needed for acceptable accuracy can be considerably larger than the explicit stability time step; typical ratios range from 20 to 80. At large time steps, convergence problems that are closely related to a highly complex structure of the basins of attraction of the iterative method may occur. Copyright

Accelerating NLTE radiative transfer by means of the Forth-and-Back Implicit Lambda Iteration: A two-level atom line formation in 2D Cartesian coordinates

NASA Astrophysics Data System (ADS)

Milić, Ivan; Atanacković, Olga

2014-10-01

State-of-the-art methods in multidimensional NLTE radiative transfer are based on the use of local approximate lambda operator within either Jacobi or Gauss-Seidel iterative schemes. Here we propose another approach to the solution of 2D NLTE RT problems, Forth-and-Back Implicit Lambda Iteration (FBILI), developed earlier for 1D geometry. In order to present the method and examine its convergence properties we use the well-known instance of the two-level atom line formation with complete frequency redistribution. In the formal solution of the RT equation we employ short characteristics with two-point algorithm. Using an implicit representation of the source function in the computation of the specific intensities, we compute and store the coefficients of the linear relations J=a+bS between the mean intensity J and the corresponding source function S. The use of iteration factors in the ‘local’ coefficients of these implicit relations in two ‘inward’ sweeps of 2D grid, along with the update of the source function in other two ‘outward’ sweeps leads to four times faster solution than the Jacobi’s one. Moreover, the update made in all four consecutive sweeps of the grid leads to an acceleration by a factor of 6-7 compared to the Jacobi iterative scheme.

Two-level schemes for the advection equation

NASA Astrophysics Data System (ADS)

Vabishchevich, Petr N.

2018-06-01

The advection equation is the basis for mathematical models of continuum mechanics. In the approximate solution of nonstationary problems it is necessary to inherit main properties of the conservatism and monotonicity of the solution. In this paper, the advection equation is written in the symmetric form, where the advection operator is the half-sum of advection operators in conservative (divergent) and non-conservative (characteristic) forms. The advection operator is skew-symmetric. Standard finite element approximations in space are used. The standard explicit two-level scheme for the advection equation is absolutely unstable. New conditionally stable regularized schemes are constructed, on the basis of the general theory of stability (well-posedness) of operator-difference schemes, the stability conditions of the explicit Lax-Wendroff scheme are established. Unconditionally stable and conservative schemes are implicit schemes of the second (Crank-Nicolson scheme) and fourth order. The conditionally stable implicit Lax-Wendroff scheme is constructed. The accuracy of the investigated explicit and implicit two-level schemes for an approximate solution of the advection equation is illustrated by the numerical results of a model two-dimensional problem.

Adolescents' Implicit Theories Predict Desire for Vengeance after Peer Conflicts: Correlational and Experimental Evidence

ERIC Educational Resources Information Center

Yeager, David S.; Trzesniewski, Kali H.; Tirri, Kirsi; Nokelainen, Petri; Dweck, Carol S.

2011-01-01

Why do some adolescents respond to interpersonal conflicts vengefully, whereas others seek more positive solutions? Three studies investigated the role of implicit theories of personality in predicting violent or vengeful responses to peer conflicts among adolescents in Grades 9 and 10. They showed that a greater belief that traits are fixed (an…

Recovery Discontinuous Galerkin Jacobian-Free Newton-Krylov Method for All-Speed Flows

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

HyeongKae Park; Robert Nourgaliev; Vincent Mousseau

2008-07-01

A novel numerical algorithm (rDG-JFNK) for all-speed fluid flows with heat conduction and viscosity is introduced. The rDG-JFNK combines the Discontinuous Galerkin spatial discretization with the implicit Runge-Kutta time integration under the Jacobian-free Newton-Krylov framework. We solve fully-compressible Navier-Stokes equations without operator-splitting of hyperbolic, diffusion and reaction terms, which enables fully-coupled high-order temporal discretization. The stability constraint is removed due to the L-stable Explicit, Singly Diagonal Implicit Runge-Kutta (ESDIRK) scheme. The governing equations are solved in the conservative form, which allows one to accurately compute shock dynamics, as well as low-speed flows. For spatial discretization, we develop a “recovery” familymore » of DG, exhibiting nearly-spectral accuracy. To precondition the Krylov-based linear solver (GMRES), we developed an “Operator-Split”-(OS) Physics Based Preconditioner (PBP), in which we transform/simplify the fully-coupled system to a sequence of segregated scalar problems, each can be solved efficiently with Multigrid method. Each scalar problem is designed to target/cluster eigenvalues of the Jacobian matrix associated with a specific physics.« less

The computation of the post-stall behavior of a circulation controlled airfoil

NASA Technical Reports Server (NTRS)

Linton, Samuel W.

1993-01-01

The physics of the circulation controlled airfoil is complex and poorly understood, particularly with regards to jet stall, which is the eventual breakdown of lift augmentation by the jet at some sufficiently high blowing rate. The present paper describes the numerical simulation of stalled and unstalled flows over a two-dimensional circulation controlled airfoil using a fully implicit Navier-Stokes code, and the comparison with experimental results. Mach numbers of 0.3 and 0.5 and jet total to freestream pressure ratios of 1.4 and 1.8 are investigated. The Baldwin-Lomax and k-epsilon turbulence models are used, each modified to include the effect of strong streamline curvature. The numerical solutions of the post-stall circulation controlled airfoil show a highly regular unsteady periodic flowfield. This is the result of an alternation between adverse pressure gradient and shock induced separation of the boundary layer on the airfoil trailing edge.

Efficient solutions to the Euler equations for supersonic flow with embedded subsonic regions

NASA Technical Reports Server (NTRS)

Walters, Robert W.; Dwoyer, Douglas L.

1987-01-01

A line Gauss-Seidel (LGS) relaxation algorithm in conjunction with a one-parameter family of upwind discretizations of the Euler equations in two dimensions is described. Convergence of the basic algorithm to the steady state is quadratic for fully supersonic flows and is linear for other flows. This is in contrast to the block alternating direction implicit methods (either central or upwind differenced) and the upwind biased relaxation schemes, all of which converge linearly, independent of the flow regime. Moreover, the algorithm presented herein is easily coupled with methods to detect regions of subsonic flow embedded in supersonic flow. This allows marching by lines in the supersonic regions, converging each line quadratically, and iterating in the subsonic regions, and yields a very efficient iteration strategy. Numerical results are presented for two-dimensional supersonic and transonic flows containing oblique and normal shock waves which confirm the efficiency of the iteration strategy.

Navier-Stokes simulation of external/internal transonic flow on the forebody/inlet of the AV-8B Harrier II

NASA Technical Reports Server (NTRS)

Mysko, Stephen J.; Chyu, Wei J.; Stortz, Michael W.; Chow, Chuen-Yen

1993-01-01

In this work, the computation of combined external/internal transonic flow on the complex forebody/inlet configuration of the AV-8B Harrier II is performed. The actual aircraft has been measured and its surface and surrounding domain, in which the fuselage and inlet have a common wall, have been described using structured grids. The 'thin-layer' Navier-Stokes equations were used to model the flow along with the Chimera embedded multi-block technique. A fully conservative, alternating direction implicit (ADI), approximately factored, partially fluxsplit algorithm was employed to perform the computation. Comparisons to some experimental wind tunnel data yielded good agreement for flow at zero incidence and angle of attack. The aim of this paper is to provide a methodology or computational tool for the numerical solution of complex external/internal flows.

Coherent states formulation of polymer field theory

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

Man, Xingkun; Villet, Michael C.; Materials Research Laboratory, University of California, Santa Barbara, California 93106

2014-01-14

We introduce a stable and efficient complex Langevin (CL) scheme to enable the first direct numerical simulations of the coherent-states (CS) formulation of polymer field theory. In contrast with Edwards’ well-known auxiliary-field (AF) framework, the CS formulation does not contain an embedded nonlinear, non-local, implicit functional of the auxiliary fields, and the action of the field theory has a fully explicit, semi-local, and finite-order polynomial character. In the context of a polymer solution model, we demonstrate that the new CS-CL dynamical scheme for sampling fluctuations in the space of coherent states yields results in good agreement with now-standard AF-CL simulations.more » The formalism is potentially applicable to a broad range of polymer architectures and may facilitate systematic generation of trial actions for use in coarse-graining and numerical renormalization-group studies.« less

On the use of finite difference matrix-vector products in Newton-Krylov solvers for implicit climate dynamics with spectral elements

DOE PAGES

Woodward, Carol S.; Gardner, David J.; Evans, Katherine J.

2015-01-01

Efficient solutions of global climate models require effectively handling disparate length and time scales. Implicit solution approaches allow time integration of the physical system with a step size governed by accuracy of the processes of interest rather than by stability of the fastest time scales present. Implicit approaches, however, require the solution of nonlinear systems within each time step. Usually, a Newton's method is applied to solve these systems. Each iteration of the Newton's method, in turn, requires the solution of a linear model of the nonlinear system. This model employs the Jacobian of the problem-defining nonlinear residual, but thismore » Jacobian can be costly to form. If a Krylov linear solver is used for the solution of the linear system, the action of the Jacobian matrix on a given vector is required. In the case of spectral element methods, the Jacobian is not calculated but only implemented through matrix-vector products. The matrix-vector multiply can also be approximated by a finite difference approximation which may introduce inaccuracy in the overall nonlinear solver. In this paper, we review the advantages and disadvantages of finite difference approximations of these matrix-vector products for climate dynamics within the spectral element shallow water dynamical core of the Community Atmosphere Model.« less

Development of a High-Order Navier-Stokes Solver Using Flux Reconstruction to Simulate Three-Dimensional Vortex Structures in a Curved Artery Model

NASA Astrophysics Data System (ADS)

Cox, Christopher

Low-order numerical methods are widespread in academic solvers and ubiquitous in industrial solvers due to their robustness and usability. High-order methods are less robust and more complicated to implement; however, they exhibit low numerical dissipation and have the potential to improve the accuracy of flow simulations at a lower computational cost when compared to low-order methods. This motivates our development of a high-order compact method using Huynh's flux reconstruction scheme for solving unsteady incompressible flow on unstructured grids. We use Chorin's classic artificial compressibility formulation with dual time stepping to solve unsteady flow problems. In 2D, an implicit non-linear lower-upper symmetric Gauss-Seidel scheme with backward Euler discretization is used to efficiently march the solution in pseudo time, while a second-order backward Euler discretization is used to march in physical time. We verify and validate implementation of the high-order method coupled with our implicit time stepping scheme using both steady and unsteady incompressible flow problems. The current implicit time stepping scheme is proven effective in satisfying the divergence-free constraint on the velocity field in the artificial compressibility formulation. The high-order solver is extended to 3D and parallelized using MPI. Due to its simplicity, time marching for 3D problems is done explicitly. The feasibility of using the current implicit time stepping scheme for large scale three-dimensional problems with high-order polynomial basis still remains to be seen. We directly use the aforementioned numerical solver to simulate pulsatile flow of a Newtonian blood-analog fluid through a rigid 180-degree curved artery model. One of the most physiologically relevant forces within the cardiovascular system is the wall shear stress. This force is important because atherosclerotic regions are strongly correlated with curvature and branching in the human vasculature, where the shear stress is both oscillatory and multidirectional. Also, the combined effect of curvature and pulsatility in cardiovascular flows produces unsteady vortices. The aim of this research as it relates to cardiovascular fluid dynamics is to predict the spatial and temporal evolution of vortical structures generated by secondary flows, as well as to assess the correlation between multiple vortex pairs and wall shear stress. We use a physiologically (pulsatile) relevant flow rate and generate results using both fully developed and uniform entrance conditions, the latter being motivated by the fact that flow upstream of a curved artery may not have sufficient straight entrance length to become fully developed. Under the two pulsatile inflow conditions, we characterize the morphology and evolution of various vortex pairs and their subsequent effect on relevant haemodynamic wall shear stress metrics.

A multidimensional unified gas-kinetic scheme for radiative transfer equations on unstructured mesh

NASA Astrophysics Data System (ADS)

Sun, Wenjun; Jiang, Song; Xu, Kun

2017-12-01

In order to extend the unified gas kinetic scheme (UGKS) to solve radiative transfer equations in a complex geometry, a multidimensional asymptotic preserving implicit method on unstructured mesh is constructed in this paper. With an implicit formulation, the CFL condition for the determination of the time step in UGKS can be much relaxed, and a large time step is used in simulations. Differently from previous direction-by-direction UGKS on orthogonal structured mesh, on unstructured mesh the interface flux transport takes into account multi-dimensional effect, where gradients of radiation intensity and material temperature in both normal and tangential directions of a cell interface are included in the flux evaluation. The multiple scale nature makes the UGKS be able to capture the solutions in both optically thin and thick regions seamlessly. In the optically thick region the condition of cell size being less than photon's mean free path is fully removed, and the UGKS recovers a solver for diffusion equation in such a limit on unstructured mesh. For a distorted quadrilateral mesh, the UGKS goes to a nine-point scheme for the diffusion equation, and it naturally reduces to the standard five-point scheme for a orthogonal quadrilateral mesh. Numerical computations covering a wide range of transport regimes on unstructured and distorted quadrilateral meshes will be presented to validate the current approach.

An efficient semi-implicit method for three-dimensional non-hydrostatic flows in compliant arterial vessels.

PubMed

Fambri, Francesco; Dumbser, Michael; Casulli, Vincenzo

2014-11-01

Blood flow in arterial systems can be described by the three-dimensional Navier-Stokes equations within a time-dependent spatial domain that accounts for the elasticity of the arterial walls. In this article, blood is treated as an incompressible Newtonian fluid that flows through compliant vessels of general cross section. A three-dimensional semi-implicit finite difference and finite volume model is derived so that numerical stability is obtained at a low computational cost on a staggered grid. The key idea of the method consists in a splitting of the pressure into a hydrostatic and a non-hydrostatic part, where first a small quasi-one-dimensional nonlinear system is solved for the hydrostatic pressure and only in a second step the fully three-dimensional non-hydrostatic pressure is computed from a three-dimensional nonlinear system as a correction to the hydrostatic one. The resulting algorithm is robust, efficient, locally and globally mass conservative, and applies to hydrostatic and non-hydrostatic flows in one, two and three space dimensions. These features are illustrated on nontrivial test cases for flows in tubes with circular or elliptical cross section where the exact analytical solution is known. Test cases of steady and pulsatile flows in uniformly curved rigid and elastic tubes are presented. Wherever possible, axial velocity development and secondary flows are shown and compared with previously published results. Copyright © 2014 John Wiley & Sons, Ltd.

Modeling electrokinetic flows by consistent implicit incompressible smoothed particle hydrodynamics

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

Pan, Wenxiao; Kim, Kyungjoo; Perego, Mauro

2017-04-01

We present an efficient implicit incompressible smoothed particle hydrodynamics (I2SPH) discretization of Navier-Stokes, Poisson-Boltzmann, and advection-diffusion equations subject to Dirichlet or Robin boundary conditions. It is applied to model various two and three dimensional electrokinetic flows in simple or complex geometries. The I2SPH's accuracy and convergence are examined via comparison with analytical solutions, grid-based numerical solutions, or empirical models. The new method provides a framework to explore broader applications of SPH in microfluidics and complex fluids with charged objects, such as colloids and biomolecules, in arbitrary complex geometries.

Affine-response model of molecular solvation of ions: Accurate predictions of asymmetric charging free energies.

PubMed

Bardhan, Jaydeep P; Jungwirth, Pavel; Makowski, Lee

2012-09-28

Two mechanisms have been proposed to drive asymmetric solvent response to a solute charge: a static potential contribution similar to the liquid-vapor potential, and a steric contribution associated with a water molecule's structure and charge distribution. In this work, we use free-energy perturbation molecular-dynamics calculations in explicit water to show that these mechanisms act in complementary regimes; the large static potential (∼44 kJ/mol/e) dominates asymmetric response for deeply buried charges, and the steric contribution dominates for charges near the solute-solvent interface. Therefore, both mechanisms must be included in order to fully account for asymmetric solvation in general. Our calculations suggest that the steric contribution leads to a remarkable deviation from the popular "linear response" model in which the reaction potential changes linearly as a function of charge. In fact, the potential varies in a piecewise-linear fashion, i.e., with different proportionality constants depending on the sign of the charge. This discrepancy is significant even when the charge is completely buried, and holds for solutes larger than single atoms. Together, these mechanisms suggest that implicit-solvent models can be improved using a combination of affine response (an offset due to the static potential) and piecewise-linear response (due to the steric contribution).

High-Order Hyperbolic Residual-Distribution Schemes on Arbitrary Triangular Grids

NASA Technical Reports Server (NTRS)

Mazaheri, Alireza; Nishikawa, Hiroaki

2015-01-01

In this paper, we construct high-order hyperbolic residual-distribution schemes for general advection-diffusion problems on arbitrary triangular grids. We demonstrate that the second-order accuracy of the hyperbolic schemes can be greatly improved by requiring the scheme to preserve exact quadratic solutions. We also show that the improved second-order scheme can be easily extended to third-order by further requiring the exactness for cubic solutions. We construct these schemes based on the LDA and the SUPG methodology formulated in the framework of the residual-distribution method. For both second- and third-order-schemes, we construct a fully implicit solver by the exact residual Jacobian of the second-order scheme, and demonstrate rapid convergence of 10-15 iterations to reduce the residuals by 10 orders of magnitude. We demonstrate also that these schemes can be constructed based on a separate treatment of the advective and diffusive terms, which paves the way for the construction of hyperbolic residual-distribution schemes for the compressible Navier-Stokes equations. Numerical results show that these schemes produce exceptionally accurate and smooth solution gradients on highly skewed and anisotropic triangular grids, including curved boundary problems, using linear elements. We also present Fourier analysis performed on the constructed linear system and show that an under-relaxation parameter is needed for stabilization of Gauss-Seidel relaxation.

Affine-response model of molecular solvation of ions: Accurate predictions of asymmetric charging free energies

PubMed Central

Bardhan, Jaydeep P.; Jungwirth, Pavel; Makowski, Lee

2012-01-01

Two mechanisms have been proposed to drive asymmetric solvent response to a solute charge: a static potential contribution similar to the liquid-vapor potential, and a steric contribution associated with a water molecule's structure and charge distribution. In this work, we use free-energy perturbation molecular-dynamics calculations in explicit water to show that these mechanisms act in complementary regimes; the large static potential (∼44 kJ/mol/e) dominates asymmetric response for deeply buried charges, and the steric contribution dominates for charges near the solute-solvent interface. Therefore, both mechanisms must be included in order to fully account for asymmetric solvation in general. Our calculations suggest that the steric contribution leads to a remarkable deviation from the popular “linear response” model in which the reaction potential changes linearly as a function of charge. In fact, the potential varies in a piecewise-linear fashion, i.e., with different proportionality constants depending on the sign of the charge. This discrepancy is significant even when the charge is completely buried, and holds for solutes larger than single atoms. Together, these mechanisms suggest that implicit-solvent models can be improved using a combination of affine response (an offset due to the static potential) and piecewise-linear response (due to the steric contribution). PMID:23020318

Implicit-explicit (IMEX) Runge-Kutta methods for non-hydrostatic atmospheric models

NASA Astrophysics Data System (ADS)

Gardner, David J.; Guerra, Jorge E.; Hamon, François P.; Reynolds, Daniel R.; Ullrich, Paul A.; Woodward, Carol S.

2018-04-01

The efficient simulation of non-hydrostatic atmospheric dynamics requires time integration methods capable of overcoming the explicit stability constraints on time step size arising from acoustic waves. In this work, we investigate various implicit-explicit (IMEX) additive Runge-Kutta (ARK) methods for evolving acoustic waves implicitly to enable larger time step sizes in a global non-hydrostatic atmospheric model. The IMEX formulations considered include horizontally explicit - vertically implicit (HEVI) approaches as well as splittings that treat some horizontal dynamics implicitly. In each case, the impact of solving nonlinear systems in each implicit ARK stage in a linearly implicit fashion is also explored. The accuracy and efficiency of the IMEX splittings, ARK methods, and solver options are evaluated on a gravity wave and baroclinic wave test case. HEVI splittings that treat some vertical dynamics explicitly do not show a benefit in solution quality or run time over the most implicit HEVI formulation. While splittings that implicitly evolve some horizontal dynamics increase the maximum stable step size of a method, the gains are insufficient to overcome the additional cost of solving a globally coupled system. Solving implicit stage systems in a linearly implicit manner limits the solver cost but this is offset by a reduction in step size to achieve the desired accuracy for some methods. Overall, the third-order ARS343 and ARK324 methods performed the best, followed by the second-order ARS232 and ARK232 methods.

Formulation of the relativistic moment implicit particle-in-cell method

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

Noguchi, Koichi; Tronci, Cesare; Zuccaro, Gianluca

2007-04-15

A new formulation is presented for the implicit moment method applied to the time-dependent relativistic Vlasov-Maxwell system. The new approach is based on a specific formulation of the implicit moment method that allows us to retain the same formalism that is valid in the classical case despite the formidable complication introduced by the nonlinear nature of the relativistic equations of motion. To demonstrate the validity of the new formulation, an implicit finite difference algorithm is developed to solve the Maxwell's equations and equations of motion. A number of benchmark problems are run: two stream instability, ion acoustic wave damping, Weibelmore » instability, and Poynting flux acceleration. The numerical results are all in agreement with analytical solutions.« less

Automatic abdominal multi-organ segmentation using deep convolutional neural network and time-implicit level sets.

PubMed

Hu, Peijun; Wu, Fa; Peng, Jialin; Bao, Yuanyuan; Chen, Feng; Kong, Dexing

2017-03-01

Multi-organ segmentation from CT images is an essential step for computer-aided diagnosis and surgery planning. However, manual delineation of the organs by radiologists is tedious, time-consuming and poorly reproducible. Therefore, we propose a fully automatic method for the segmentation of multiple organs from three-dimensional abdominal CT images. The proposed method employs deep fully convolutional neural networks (CNNs) for organ detection and segmentation, which is further refined by a time-implicit multi-phase evolution method. Firstly, a 3D CNN is trained to automatically localize and delineate the organs of interest with a probability prediction map. The learned probability map provides both subject-specific spatial priors and initialization for subsequent fine segmentation. Then, for the refinement of the multi-organ segmentation, image intensity models, probability priors as well as a disjoint region constraint are incorporated into an unified energy functional. Finally, a novel time-implicit multi-phase level-set algorithm is utilized to efficiently optimize the proposed energy functional model. Our method has been evaluated on 140 abdominal CT scans for the segmentation of four organs (liver, spleen and both kidneys). With respect to the ground truth, average Dice overlap ratios for the liver, spleen and both kidneys are 96.0, 94.2 and 95.4%, respectively, and average symmetric surface distance is less than 1.3 mm for all the segmented organs. The computation time for a CT volume is 125 s in average. The achieved accuracy compares well to state-of-the-art methods with much higher efficiency. A fully automatic method for multi-organ segmentation from abdominal CT images was developed and evaluated. The results demonstrated its potential in clinical usage with high effectiveness, robustness and efficiency.

Construction of Three Dimensional Solutions for the Maxwell Equations

NASA Technical Reports Server (NTRS)

Yefet, A.; Turkel, E.

1998-01-01

We consider numerical solutions for the three dimensional time dependent Maxwell equations. We construct a fourth order accurate compact implicit scheme and compare it to the Yee scheme for free space in a box.

A pressure-based semi-implicit space-time discontinuous Galerkin method on staggered unstructured meshes for the solution of the compressible Navier-Stokes equations at all Mach numbers

NASA Astrophysics Data System (ADS)

Tavelli, Maurizio; Dumbser, Michael

2017-07-01

We propose a new arbitrary high order accurate semi-implicit space-time discontinuous Galerkin (DG) method for the solution of the two and three dimensional compressible Euler and Navier-Stokes equations on staggered unstructured curved meshes. The method is pressure-based and semi-implicit and is able to deal with all Mach number flows. The new DG scheme extends the seminal ideas outlined in [1], where a second order semi-implicit finite volume method for the solution of the compressible Navier-Stokes equations with a general equation of state was introduced on staggered Cartesian grids. Regarding the high order extension we follow [2], where a staggered space-time DG scheme for the incompressible Navier-Stokes equations was presented. In our scheme, the discrete pressure is defined on the primal grid, while the discrete velocity field and the density are defined on a face-based staggered dual grid. Then, the mass conservation equation, as well as the nonlinear convective terms in the momentum equation and the transport of kinetic energy in the energy equation are discretized explicitly, while the pressure terms appearing in the momentum and energy equation are discretized implicitly. Formal substitution of the discrete momentum equation into the total energy conservation equation yields a linear system for only one unknown, namely the scalar pressure. Here the equation of state is assumed linear with respect to the pressure. The enthalpy and the kinetic energy are taken explicitly and are then updated using a simple Picard procedure. Thanks to the use of a staggered grid, the final pressure system is a very sparse block five-point system for three dimensional problems and it is a block four-point system in the two dimensional case. Furthermore, for high order in space and piecewise constant polynomials in time, the system is observed to be symmetric and positive definite. This allows to use fast linear solvers such as the conjugate gradient (CG) method. In addition, all the volume and surface integrals needed by the scheme depend only on the geometry and the polynomial degree of the basis and test functions and can therefore be precomputed and stored in a preprocessing stage. This leads to significant savings in terms of computational effort for the time evolution part. In this way also the extension to a fully curved isoparametric approach becomes natural and affects only the preprocessing step. The viscous terms and the heat flux are also discretized making use of the staggered grid by defining the viscous stress tensor and the heat flux vector on the dual grid, which corresponds to the use of a lifting operator, but on the dual grid. The time step of our new numerical method is limited by a CFL condition based only on the fluid velocity and not on the sound speed. This makes the method particularly interesting for low Mach number flows. Finally, a very simple combination of artificial viscosity and the a posteriori MOOD technique allows to deal with shock waves and thus permits also to simulate high Mach number flows. We show computational results for a large set of two and three-dimensional benchmark problems, including both low and high Mach number flows and using polynomial approximation degrees up to p = 4.

Studying Different Tasks of Implicit Learning across Multiple Test Sessions Conducted on the Web

PubMed Central

Sævland, Werner; Norman, Elisabeth

2016-01-01

Implicit learning is usually studied through individual performance on a single task, with the most common tasks being the Serial Reaction Time (SRT) task, the Dynamic System Control (DSC) task, and Artificial Grammar Learning (AGL). Few attempts have been made to compare performance across different implicit learning tasks within the same study. The current study was designed to explore the relationship between performance on the DSC Sugar factory task and the Alternating Serial Reaction Time (ASRT) task. We also addressed another limitation of traditional implicit learning experiments, namely that implicit learning is usually studied in laboratory settings over a restricted time span lasting for less than an hour. In everyday situations, implicit learning is assumed to involve a gradual accumulation of knowledge across several learning episodes over a longer time span. One way to increase the ecological validity of implicit learning experiments could be to present the learning material repeatedly across shorter test sessions. This can most easily be done by using a web-based setup in which participants can access the material from home. We therefore created an online web-based system for measuring implicit learning that could be administered in either single or multiple sessions. Participants (n = 66) were assigned to either a single session or a multiple session condition. Learning occurred on both tasks, and awareness measures suggested that acquired knowledge was not fully conscious on either of the tasks. Learning and the degree of conscious awareness of the learned regularities were compared across conditions and tasks. On the DSC task, performance was not affected by whether learning had taken place in one or over multiple sessions. On the ASRT task, RT improvement across blocks was larger in the multiple-session condition. Learning in the two tasks was not related. PMID:27375512

Technical report series on global modeling and data assimilation. Volume 2: Direct solution of the implicit formulation of fourth order horizontal diffusion for gridpoint models on the sphere

NASA Technical Reports Server (NTRS)

Li, Yong; Moorthi, S.; Bates, J. Ray; Suarez, Max J.

1994-01-01

High order horizontal diffusion of the form K Delta(exp 2m) is widely used in spectral models as a means of preventing energy accumulation at the shortest resolved scales. In the spectral context, an implicit formation of such diffusion is trivial to implement. The present note describes an efficient method of implementing implicit high order diffusion in global finite difference models. The method expresses the high order diffusion equation as a sequence of equations involving Delta(exp 2). The solution is obtained by combining fast Fourier transforms in longitude with a finite difference solver for the second order ordinary differential equation in latitude. The implicit diffusion routine is suitable for use in any finite difference global model that uses a regular latitude/longitude grid. The absence of a restriction on the timestep makes it particularly suitable for use in semi-Lagrangian models. The scale selectivity of the high order diffusion gives it an advantage over the uncentering method that has been used to control computational noise in two-time-level semi-Lagrangian models.

An implicit scheme with memory reduction technique for steady state solutions of DVBE in all flow regimes

NASA Astrophysics Data System (ADS)

Yang, L. M.; Shu, C.; Yang, W. M.; Wu, J.

2018-04-01

High consumption of memory and computational effort is the major barrier to prevent the widespread use of the discrete velocity method (DVM) in the simulation of flows in all flow regimes. To overcome this drawback, an implicit DVM with a memory reduction technique for solving a steady discrete velocity Boltzmann equation (DVBE) is presented in this work. In the method, the distribution functions in the whole discrete velocity space do not need to be stored, and they are calculated from the macroscopic flow variables. As a result, its memory requirement is in the same order as the conventional Euler/Navier-Stokes solver. In the meantime, it is more efficient than the explicit DVM for the simulation of various flows. To make the method efficient for solving flow problems in all flow regimes, a prediction step is introduced to estimate the local equilibrium state of the DVBE. In the prediction step, the distribution function at the cell interface is calculated by the local solution of DVBE. For the flow simulation, when the cell size is less than the mean free path, the prediction step has almost no effect on the solution. However, when the cell size is much larger than the mean free path, the prediction step dominates the solution so as to provide reasonable results in such a flow regime. In addition, to further improve the computational efficiency of the developed scheme in the continuum flow regime, the implicit technique is also introduced into the prediction step. Numerical results showed that the proposed implicit scheme can provide reasonable results in all flow regimes and increase significantly the computational efficiency in the continuum flow regime as compared with the existing DVM solvers.

A fully-implicit Particle-In-Cell Monte Carlo Collision code for the simulation of inductively coupled plasmas

NASA Astrophysics Data System (ADS)

Mattei, S.; Nishida, K.; Onai, M.; Lettry, J.; Tran, M. Q.; Hatayama, A.

2017-12-01

We present a fully-implicit electromagnetic Particle-In-Cell Monte Carlo collision code, called NINJA, written for the simulation of inductively coupled plasmas. NINJA employs a kinetic enslaved Jacobian-Free Newton Krylov method to solve self-consistently the interaction between the electromagnetic field generated by the radio-frequency coil and the plasma response. The simulated plasma includes a kinetic description of charged and neutral species as well as the collision processes between them. The algorithm allows simulations with cell sizes much larger than the Debye length and time steps in excess of the Courant-Friedrichs-Lewy condition whilst preserving the conservation of the total energy. The code is applied to the simulation of the plasma discharge of the Linac4 H- ion source at CERN. Simulation results of plasma density, temperature and EEDF are discussed and compared with optical emission spectroscopy measurements. A systematic study of the energy conservation as a function of the numerical parameters is presented.

Modelling multiple cycles of static and dynamic recrystallisation using a fully implicit isotropic material model based on dislocation density

NASA Astrophysics Data System (ADS)

Jansen van Rensburg, Gerhardus J.; Kok, Schalk; Wilke, Daniel N.

2018-03-01

This paper presents the development and numerical implementation of a state variable based thermomechanical material model, intended for use within a fully implicit finite element formulation. Plastic hardening, thermal recovery and multiple cycles of recrystallisation can be tracked for single peak as well as multiple peak recrystallisation response. The numerical implementation of the state variable model extends on a J2 isotropic hypo-elastoplastic modelling framework. The complete numerical implementation is presented as an Abaqus UMAT and linked subroutines. Implementation is discussed with detailed explanation of the derivation and use of various sensitivities, internal state variable management and multiple recrystallisation cycle contributions. A flow chart explaining the proposed numerical implementation is provided as well as verification on the convergence of the material subroutine. The material model is characterised using two high temperature data sets for cobalt and copper. The results of finite element analyses using the material parameter values characterised on the copper data set are also presented.

A comparison between implicit and hybrid methods for the calculation of steady and unsteady inlet flows

NASA Technical Reports Server (NTRS)

Coakley, T. J.; Hsieh, T.

1985-01-01

Numerical simulation of steady and unsteady transonic diffuser flows using two different computer codes are discussed and compared with experimental data. The codes solve the Reynolds-averaged, compressible, Navier-Stokes equations using various turbulence models. One of the codes has been applied extensively to diffuser flows and uses the hybrid method of MacCormack. This code is relatively inefficient numerically. The second code, which was developed more recently, is fully implicit and is relatively efficient numerically. Simulations of steady flows using the implicit code are shown to be in good agreement with simulations using the hybrid code. Both simulations are in good agreement with experimental results. Simulations of unsteady flows using the two codes are in good qualitative agreement with each other, although the quantitative agreement is not as good as in the steady flow cases. The implicit code is shown to be eight times faster than the hybrid code for unsteady flow calculations and up to 32 times faster for steady flow calculations. Results of calculations using alternative turbulence models are also discussed.

Implicit Interaction: A Modality for Ambient Exercise Monitoring

NASA Astrophysics Data System (ADS)

Wan, J.; O'Grady, M. J.; O'Hare, G. M. P.

Ambient Exercise refers to the implicit exercise that people undertake in the course of their everyday duties - a simple example being climbing stairs. Increasing awareness of the potential health benefits of such activities may well contribute to an increase in a person’s well-being. Initially, it is necessary to monitor and quantify such exercise so that personalized fitness plans may be constructed. In this paper, the implicit interaction modality is harnessed to enable the capturing of ambient exercise activity thereby facilitating its subsequent quantification and interpretation. The novelty of the solution proposed lies in its ubiquity and transparency.

Implicit perceptual-motor skill learning in mild cognitive impairment and Parkinson's disease.

PubMed

Gobel, Eric W; Blomeke, Kelsey; Zadikoff, Cindy; Simuni, Tanya; Weintraub, Sandra; Reber, Paul J

2013-05-01

Implicit skill learning is hypothesized to depend on nondeclarative memory that operates independent of the medial temporal lobe (MTL) memory system and instead depends on cortico striatal circuits between the basal ganglia and cortical areas supporting motor function and planning. Research with the Serial Reaction Time (SRT) task suggests that patients with memory disorders due to MTL damage exhibit normal implicit sequence learning. However, reports of intact learning rely on observations of no group differences, leading to speculation as to whether implicit sequence learning is fully intact in these patients. Patients with Parkinson's disease (PD) often exhibit impaired sequence learning, but this impairment is not universally observed. Implicit perceptual-motor sequence learning was examined using the Serial Interception Sequence Learning (SISL) task in patients with amnestic Mild Cognitive Impairment (MCI; n = 11) and patients with PD (n = 15). Sequence learning in SISL is resistant to explicit learning and individually adapted task difficulty controls for baseline performance differences. Patients with MCI exhibited robust sequence learning, equivalent to healthy older adults (n = 20), supporting the hypothesis that the MTL does not contribute to learning in this task. In contrast, the majority of patients with PD exhibited no sequence-specific learning in spite of matched overall task performance. Two patients with PD exhibited performance indicative of an explicit compensatory strategy suggesting that impaired implicit learning may lead to greater reliance on explicit memory in some individuals. The differences in learning between patient groups provides strong evidence in favor of implicit sequence learning depending solely on intact basal ganglia function with no contribution from the MTL memory system.

Hyperbolic/parabolic development for the GIM-STAR code. [flow fields in supersonic inlets

NASA Technical Reports Server (NTRS)

Spradley, L. W.; Stalnaker, J. F.; Ratliff, A. W.

1980-01-01

Flow fields in supersonic inlet configurations were computed using the eliptic GIM code on the STAR computer. Spillage flow under the lower cowl was calculated to be 33% of the incoming stream. The shock/boundary layer interaction on the upper propulsive surface was computed including separation. All shocks produced by the flow system were captured. Linearized block implicit (LBI) schemes were examined to determine their application to the GIM code. Pure explicit methods have stability limitations and fully implicit schemes are inherently inefficient; however, LBI schemes show promise as an effective compromise. A quasiparabolic version of the GIM code was developed using elastical parabolized Navier-Stokes methods combined with quasitime relaxation. This scheme is referred to as quasiparabolic although it applies equally well to hyperbolic supersonic inviscid flows. Second order windward differences are used in the marching coordinate and either explicit or linear block implicit time relaxation can be incorporated.

Development of iterative techniques for the solution of unsteady compressible viscous flows

NASA Technical Reports Server (NTRS)

Sankar, Lakshmi N.; Hixon, Duane

1992-01-01

The development of efficient iterative solution methods for the numerical solution of two- and three-dimensional compressible Navier-Stokes equations is discussed. Iterative time marching methods have several advantages over classical multi-step explicit time marching schemes, and non-iterative implicit time marching schemes. Iterative schemes have better stability characteristics than non-iterative explicit and implicit schemes. In this work, another approach based on the classical conjugate gradient method, known as the Generalized Minimum Residual (GMRES) algorithm is investigated. The GMRES algorithm has been used in the past by a number of researchers for solving steady viscous and inviscid flow problems. Here, we investigate the suitability of this algorithm for solving the system of non-linear equations that arise in unsteady Navier-Stokes solvers at each time step.

Modeling electrokinetic flows by consistent implicit incompressible smoothed particle hydrodynamics

DOE PAGES

Pan, Wenxiao; Kim, Kyungjoo; Perego, Mauro; ...

2017-01-03

In this paper, we present a consistent implicit incompressible smoothed particle hydrodynamics (I 2SPH) discretization of Navier–Stokes, Poisson–Boltzmann, and advection–diffusion equations subject to Dirichlet or Robin boundary conditions. It is applied to model various two and three dimensional electrokinetic flows in simple or complex geometries. The accuracy and convergence of the consistent I 2SPH are examined via comparison with analytical solutions, grid-based numerical solutions, or empirical models. Lastly, the new method provides a framework to explore broader applications of SPH in microfluidics and complex fluids with charged objects, such as colloids and biomolecules, in arbitrary complex geometries.

CAG12 - A CSCM based procedure for flow of an equilibrium chemically reacting gas

NASA Technical Reports Server (NTRS)

Green, M. J.; Davy, W. C.; Lombard, C. K.

1985-01-01

The Conservative Supra Characteristic Method (CSCM), an implicit upwind Navier-Stokes algorithm, is extended to the numerical simulation of flows in chemical equilibrium. The resulting computer code known as Chemistry and Gasdynamics Implicit - Version 2 (CAG12) is described. First-order accurate results are presented for inviscid and viscous Mach 20 flows of air past a hemisphere-cylinder. The solution procedure captures the bow shock in a chemically reacting gas, a technique that is needed for simulating high altitude, rarefied flows. In an initial effort to validate the code, the inviscid results are compared with published gasdynamic and chemistry solutions and satisfactorily agreement is obtained.

An Implicit Characteristic Based Method for Electromagnetics

NASA Technical Reports Server (NTRS)

Beggs, John H.; Briley, W. Roger

2001-01-01

An implicit characteristic-based approach for numerical solution of Maxwell's time-dependent curl equations in flux conservative form is introduced. This method combines a characteristic based finite difference spatial approximation with an implicit lower-upper approximate factorization (LU/AF) time integration scheme. This approach is advantageous for three-dimensional applications because the characteristic differencing enables a two-factor approximate factorization that retains its unconditional stability in three space dimensions, and it does not require solution of tridiagonal systems. Results are given both for a Fourier analysis of stability, damping and dispersion properties, and for one-dimensional model problems involving propagation and scattering for free space and dielectric materials using both uniform and nonuniform grids. The explicit Finite Difference Time Domain Method (FDTD) algorithm is used as a convenient reference algorithm for comparison. The one-dimensional results indicate that for low frequency problems on a highly resolved uniform or nonuniform grid, this LU/AF algorithm can produce accurate solutions at Courant numbers significantly greater than one, with a corresponding improvement in efficiency for simulating a given period of time. This approach appears promising for development of dispersion optimized LU/AF schemes for three dimensional applications.

Fourth order Douglas implicit scheme for solving three dimension reaction diffusion equation with non-linear source term

NASA Astrophysics Data System (ADS)

Hasnain, Shahid; Saqib, Muhammad; Mashat, Daoud Suleiman

2017-07-01

This research paper represents a numerical approximation to non-linear three dimension reaction diffusion equation with non-linear source term from population genetics. Since various initial and boundary value problems exist in three dimension reaction diffusion phenomena, which are studied numerically by different numerical methods, here we use finite difference schemes (Alternating Direction Implicit and Fourth Order Douglas Implicit) to approximate the solution. Accuracy is studied in term of L2, L∞ and relative error norms by random selected grids along time levels for comparison with analytical results. The test example demonstrates the accuracy, efficiency and versatility of the proposed schemes. Numerical results showed that Fourth Order Douglas Implicit scheme is very efficient and reliable for solving 3-D non-linear reaction diffusion equation.

An implementation of a chemical and thermal nonequilibrium flow solver on unstructured meshes and application to blunt bodies

NASA Technical Reports Server (NTRS)

Prabhu, Ramadas K.

1994-01-01

This paper presents a nonequilibrium flow solver, implementation of the algorithm on unstructured meshes, and application to hypersonic flow past blunt bodies. Air is modeled as a mixture of five chemical species, namely O2, N2, O, NO, and N, having two temperatures namely translational and vibrational. The solution algorithm is a cell centered, point implicit upwind scheme that employs Roe's flux difference splitting technique. Implementation of this algorithm on unstructured meshes is described. The computer code is applied to solve Mach 15 flow with and without a Type IV shock interference on a cylindrical body of 2.5mm radius representing a cowl lip. Adaptively generated meshes are employed, and the meshes are refined several times until the solution exhibits detailed flow features and surface pressure and heat flux distributions. Effects of a catalytic wall on surface heat flux distribution are studied. For the Mach 15 Type IV shock interference flow, present results showed a peak heat flux of 544 MW/m2 for a fully catalytic wall and 431 MW/m(exp 2) for a noncatalytic wall. Some of the results are compared with available computational data.

Analysis of the Harrier forebody/inlet design using computational techniques

NASA Technical Reports Server (NTRS)

Chow, Chuen-Yen

1993-01-01

Under the support of this Cooperative Agreement, computations of transonic flow past the complex forebody/inlet configuration of the AV-8B Harrier II have been performed. The actual aircraft configuration was measured and its surface and surrounding domain were defined using computational structured grids. The thin-layer Navier-Stokes equations were used to model the flow along with the Chimera embedded multi-grid technique. A fully conservative, alternating direction implicit (ADI), approximately-factored, partially flux-split algorithm was employed to perform the computation. An existing code was altered to conform with the needs of the study, and some special engine face boundary conditions were developed. The algorithm incorporated the Chimera technique and an algebraic turbulence model in order to deal with the embedded multi-grids and viscous governing equations. Comparison with experimental data has yielded good agreement for the simplifications incorporated into the analysis. The aim of the present research was to provide a methodology for the numerical solution of complex, combined external/internal flows. This is the first time-dependent Navier-Stokes solution for a geometry in which the fuselage and inlet share a wall. The results indicate the methodology used here is a viable tool for transonic aircraft modeling.

Numerical study of hydrogen-air supersonic combustion by using elliptic and parabolized equations

NASA Technical Reports Server (NTRS)

Chitsomboon, T.; Tiwari, S. N.

1986-01-01

The two-dimensional Navier-Stokes and species continuity equations are used to investigate supersonic chemically reacting flow problems which are related to scramjet-engine configurations. A global two-step finite-rate chemistry model is employed to represent the hydrogen-air combustion in the flow. An algebraic turbulent model is adopted for turbulent flow calculations. The explicit unsplit MacCormack finite-difference algorithm is used to develop a computer program suitable for a vector processing computer. The computer program developed is then used to integrate the system of the governing equations in time until convergence is attained. The chemistry source terms in the species continuity equations are evaluated implicitly to alleviate stiffness associated with fast chemical reactions. The problems solved by the elliptic code are re-investigated by using a set of two-dimensional parabolized Navier-Stokes and species equations. A linearized fully-coupled fully-implicit finite difference algorithm is used to develop a second computer code which solves the governing equations by marching in spce rather than time, resulting in a considerable saving in computer resources. Results obtained by using the parabolized formulation are compared with the results obtained by using the fully-elliptic equations. The comparisons indicate fairly good agreement of the results of the two formulations.

Jacobi-Gauss-Lobatto collocation method for the numerical solution of 1+1 nonlinear Schrödinger equations

NASA Astrophysics Data System (ADS)

Doha, E. H.; Bhrawy, A. H.; Abdelkawy, M. A.; Van Gorder, Robert A.

2014-03-01

A Jacobi-Gauss-Lobatto collocation (J-GL-C) method, used in combination with the implicit Runge-Kutta method of fourth order, is proposed as a numerical algorithm for the approximation of solutions to nonlinear Schrödinger equations (NLSE) with initial-boundary data in 1+1 dimensions. Our procedure is implemented in two successive steps. In the first one, the J-GL-C is employed for approximating the functional dependence on the spatial variable, using (N-1) nodes of the Jacobi-Gauss-Lobatto interpolation which depends upon two general Jacobi parameters. The resulting equations together with the two-point boundary conditions induce a system of 2(N-1) first-order ordinary differential equations (ODEs) in time. In the second step, the implicit Runge-Kutta method of fourth order is applied to solve this temporal system. The proposed J-GL-C method, used in combination with the implicit Runge-Kutta method of fourth order, is employed to obtain highly accurate numerical approximations to four types of NLSE, including the attractive and repulsive NLSE and a Gross-Pitaevskii equation with space-periodic potential. The numerical results obtained by this algorithm have been compared with various exact solutions in order to demonstrate the accuracy and efficiency of the proposed method. Indeed, for relatively few nodes used, the absolute error in our numerical solutions is sufficiently small.

Transient modeling/analysis of hyperbolic heat conduction problems employing mixed implicit-explicit alpha method

NASA Technical Reports Server (NTRS)

Tamma, Kumar K.; D'Costa, Joseph F.

1991-01-01

This paper describes the evaluation of mixed implicit-explicit finite element formulations for hyperbolic heat conduction problems involving non-Fourier effects. In particular, mixed implicit-explicit formulations employing the alpha method proposed by Hughes et al. (1987, 1990) are described for the numerical simulation of hyperbolic heat conduction models, which involves time-dependent relaxation effects. Existing analytical approaches for modeling/analysis of such models involve complex mathematical formulations for obtaining closed-form solutions, while in certain numerical formulations the difficulties include severe oscillatory solution behavior (which often disguises the true response) in the vicinity of the thermal disturbances, which propagate with finite velocities. In view of these factors, the alpha method is evaluated to assess the control of the amount of numerical dissipation for predicting the transient propagating thermal disturbances. Numerical test models are presented, and pertinent conclusions are drawn for the mixed-time integration simulation of hyperbolic heat conduction models involving non-Fourier effects.

Universal single level implicit algorithm for gasdynamics

NASA Technical Reports Server (NTRS)

Lombard, C. K.; Venkatapthy, E.

1984-01-01

A single level effectively explicit implicit algorithm for gasdynamics is presented. The method meets all the requirements for unconditionally stable global iteration over flows with mixed supersonic and supersonic zones including blunt body flow and boundary layer flows with strong interaction and streamwise separation. For hyperbolic (supersonic flow) regions the method is automatically equivalent to contemporary space marching methods. For elliptic (subsonic flow) regions, rapid convergence is facilitated by alternating direction solution sweeps which bring both sets of eigenvectors and the influence of both boundaries of a coordinate line equally into play. Point by point updating of the data with local iteration on the solution procedure at each spatial step as the sweeps progress not only renders the method single level in storage but, also, improves nonlinear accuracy to accelerate convergence by an order of magnitude over related two level linearized implicit methods. The method derives robust stability from the combination of an eigenvector split upwind difference method (CSCM) with diagonally dominant ADI(DDADI) approximate factorization and computed characteristic boundary approximations.

Self-Love or Other-Love? Explicit Other-Preference but Implicit Self-Preference

PubMed Central

Gebauer, Jochen E.; Göritz, Anja S.; Hofmann, Wilhelm; Sedikides, Constantine

2012-01-01

Do humans prefer the self even over their favorite other person? This question has pervaded philosophy and social-behavioral sciences. Psychology’s distinction between explicit and implicit preferences calls for a two-tiered solution. Our evolutionarily-based Dissociative Self-Preference Model offers two hypotheses. Other-preferences prevail at an explicit level, because they convey caring for others, which strengthens interpersonal bonds–a major evolutionary advantage. Self-preferences, however, prevail at an implicit level, because they facilitate self-serving automatic behavior, which favors the self in life-or-die situations–also a major evolutionary advantage. We examined the data of 1,519 participants, who completed an explicit measure and one of five implicit measures of preferences for self versus favorite other. The results were consistent with the Dissociative Self-Preference Model. Explicitly, participants preferred their favorite other over the self. Implicitly, however, they preferred the self over their favorite other (be it their child, romantic partner, or best friend). Results are discussed in relation to evolutionary theorizing on self-deception. PMID:22848605

Implicit–explicit (IMEX) Runge–Kutta methods for non-hydrostatic atmospheric models

DOE PAGES

Gardner, David J.; Guerra, Jorge E.; Hamon, François P.; ...

2018-04-17

The efficient simulation of non-hydrostatic atmospheric dynamics requires time integration methods capable of overcoming the explicit stability constraints on time step size arising from acoustic waves. In this work, we investigate various implicit–explicit (IMEX) additive Runge–Kutta (ARK) methods for evolving acoustic waves implicitly to enable larger time step sizes in a global non-hydrostatic atmospheric model. The IMEX formulations considered include horizontally explicit – vertically implicit (HEVI) approaches as well as splittings that treat some horizontal dynamics implicitly. In each case, the impact of solving nonlinear systems in each implicit ARK stage in a linearly implicit fashion is also explored.The accuracymore » and efficiency of the IMEX splittings, ARK methods, and solver options are evaluated on a gravity wave and baroclinic wave test case. HEVI splittings that treat some vertical dynamics explicitly do not show a benefit in solution quality or run time over the most implicit HEVI formulation. While splittings that implicitly evolve some horizontal dynamics increase the maximum stable step size of a method, the gains are insufficient to overcome the additional cost of solving a globally coupled system. Solving implicit stage systems in a linearly implicit manner limits the solver cost but this is offset by a reduction in step size to achieve the desired accuracy for some methods. Overall, the third-order ARS343 and ARK324 methods performed the best, followed by the second-order ARS232 and ARK232 methods.« less

Implicit–explicit (IMEX) Runge–Kutta methods for non-hydrostatic atmospheric models

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

Gardner, David J.; Guerra, Jorge E.; Hamon, François P.

The efficient simulation of non-hydrostatic atmospheric dynamics requires time integration methods capable of overcoming the explicit stability constraints on time step size arising from acoustic waves. In this work, we investigate various implicit–explicit (IMEX) additive Runge–Kutta (ARK) methods for evolving acoustic waves implicitly to enable larger time step sizes in a global non-hydrostatic atmospheric model. The IMEX formulations considered include horizontally explicit – vertically implicit (HEVI) approaches as well as splittings that treat some horizontal dynamics implicitly. In each case, the impact of solving nonlinear systems in each implicit ARK stage in a linearly implicit fashion is also explored.The accuracymore » and efficiency of the IMEX splittings, ARK methods, and solver options are evaluated on a gravity wave and baroclinic wave test case. HEVI splittings that treat some vertical dynamics explicitly do not show a benefit in solution quality or run time over the most implicit HEVI formulation. While splittings that implicitly evolve some horizontal dynamics increase the maximum stable step size of a method, the gains are insufficient to overcome the additional cost of solving a globally coupled system. Solving implicit stage systems in a linearly implicit manner limits the solver cost but this is offset by a reduction in step size to achieve the desired accuracy for some methods. Overall, the third-order ARS343 and ARK324 methods performed the best, followed by the second-order ARS232 and ARK232 methods.« less

Conjugate Compressible Fluid Flow and Heat Transfer in Ducts

NASA Technical Reports Server (NTRS)

Cross, M. F.

2011-01-01

A computational approach to modeling transient, compressible fluid flow with heat transfer in long, narrow ducts is presented. The primary application of the model is for analyzing fluid flow and heat transfer in solid propellant rocket motor nozzle joints during motor start-up, but the approach is relevant to a wide range of analyses involving rapid pressurization and filling of ducts. Fluid flow is modeled through solution of the spatially one-dimensional, transient Euler equations. Source terms are included in the governing equations to account for the effects of wall friction and heat transfer. The equation solver is fully-implicit, thus providing greater flexibility than an explicit solver. This approach allows for resolution of pressure wave effects on the flow as well as for fast calculation of the steady-state solution when a quasi-steady approach is sufficient. Solution of the one-dimensional Euler equations with source terms significantly reduces computational run times compared to general purpose computational fluid dynamics packages solving the Navier-Stokes equations with resolved boundary layers. In addition, conjugate heat transfer is more readily implemented using the approach described in this paper than with most general purpose computational fluid dynamics packages. The compressible flow code has been integrated with a transient heat transfer solver to analyze heat transfer between the fluid and surrounding structure. Conjugate fluid flow and heat transfer solutions are presented. The author is unaware of any previous work available in the open literature which uses the same approach described in this paper.

Plan Debugging Using Approximate Domain Theories.

DTIC Science & Technology

1995-03-01

compelling suggestion that generative plan- ning systems solving large problems will need to exploit the control information implicit in uncertain...control information implicit in uncertain information may well lead the planner to expand one portion of a plan at one point, and a separate portion of...solutions that have been proposed are to abandon declarativism (as suggested in the work on situated automata theory and its variants [1, 16, 56, 72

Unsteady Flow Simulation: A Numerical Challenge

DTIC Science & Technology

2003-03-01

drive to convergence the numerical unsteady term. The time marching procedure is based on the approximate implicit Newton method for systems of non...computed through analytical derivatives of S. The linear system stemming from equation (3) is solved at each integration step by the same iterative method...significant reduction of memory usage, thanks to the reduced dimensions of the linear system matrix during the implicit marching of the solution. The

Predicting hydration free energies with a hybrid QM/MM approach: an evaluation of implicit and explicit solvation models in SAMPL4

NASA Astrophysics Data System (ADS)

König, Gerhard; Pickard, Frank C.; Mei, Ye; Brooks, Bernard R.

2014-03-01

The correct representation of solute-water interactions is essential for the accurate simulation of most biological phenomena. Several highly accurate quantum methods are available to deal with solvation by using both implicit and explicit solvents. So far, however, most evaluations of those methods were based on a single conformation, which neglects solute entropy. Here, we present the first test of a novel approach to determine hydration free energies that uses molecular mechanics (MM) to sample phase space and quantum mechanics (QM) to evaluate the potential energies. Free energies are determined by using re-weighting with the Non-Boltzmann Bennett (NBB) method. In this context, the method is referred to as QM-NBB. Based on snapshots from MM sampling and accounting for their correct Boltzmann weight, it is possible to obtain hydration free energies that incorporate the effect of solute entropy. We evaluate the performance of several QM implicit solvent models, as well as explicit solvent QM/MM for the blind subset of the SAMPL4 hydration free energy challenge. While classical free energy simulations with molecular dynamics give root mean square deviations (RMSD) of 2.8 and 2.3 kcal/mol, the hybrid approach yields an improved RMSD of 1.6 kcal/mol. By selecting an appropriate functional and basis set, the RMSD can be reduced to 1 kcal/mol for calculations based on a single conformation. Results for a selected set of challenging molecules imply that this RMSD can be further reduced by using NBB to reweight MM trajectories with the SMD implicit solvent model.

Implicit Space-Time Conservation Element and Solution Element Schemes

NASA Technical Reports Server (NTRS)

Chang, Sin-Chung; Himansu, Ananda; Wang, Xiao-Yen

1999-01-01

Artificial numerical dissipation is in important issue in large Reynolds number computations. In such computations, the artificial dissipation inherent in traditional numerical schemes can overwhelm the physical dissipation and yield inaccurate results on meshes of practical size. In the present work, the space-time conservation element and solution element method is used to construct new and accurate implicit numerical schemes such that artificial numerical dissipation will not overwhelm physical dissipation. Specifically, these schemes have the property that numerical dissipation vanishes when the physical viscosity goes to zero. These new schemes therefore accurately model the physical dissipation even when it is extremely small. The new schemes presented are two highly accurate implicit solvers for a convection-diffusion equation. The two schemes become identical in the pure convection case, and in the pure diffusion case. The implicit schemes are applicable over the whole Reynolds number range, from purely diffusive equations to convection-dominated equations with very small viscosity. The stability and consistency of the schemes are analysed, and some numerical results are presented. It is shown that, in the inviscid case, the new schemes become explicit and their amplification factors are identical to those of the Leapfrog scheme. On the other hand, in the pure diffusion case, their principal amplification factor becomes the amplification factor of the Crank-Nicolson scheme.

Implicit Perceptual-Motor Skill Learning in Mild Cognitive Impairment and Parkinson's Disease

PubMed Central

Gobel, Eric W.; Blomeke, Kelsey; Zadikoff, Cindy; Simuni, Tanya; Weintraub, Sandy; Reber, Paul J.

2015-01-01

Objective Implicit skill learning is hypothesized to depend on nondeclarative memory that operates independent of the medial temporal lobe (MTL) memory system and instead depends on cortico-striatal circuits between the basal ganglia and cortical areas supporting motor function and planning. Research with the Serial Reaction Time (SRT) task suggests that patients with memory-disorders due to MTL damage exhibit normal implicit sequence learning. However, reports of intact learning rely on observations of no group differences, leading to speculation whether implicit sequence learning is fully intact in these patients. Patients with Parkinson's Disease (PD) often exhibit impaired sequence learning, but this impairment is not universally observed. Method Implicit perceptual-motor sequence learning was examined using the Serial Interception Sequence Learning (SISL) task in patients with amnestic Mild Cognitive Impairment (MCI; n=11) and patients with PD (n=15). Sequence learning in SISL is resistant to explicit learning and individually adapted task difficulty controls for baseline performance differences. Results Patients with MCI exhibited robust sequence learning, equivalent to healthy older adults (n=20), supporting the hypothesis that the MTL does not contribute to learning in this task. In contrast, the majority of patients with PD exhibited no sequence-specific learning in spite of matched overall task performance. Two patients with PD exhibited performance indicative of an explicit compensatory strategy suggesting that impaired implicit learning may lead to greater reliance on explicit memory in some individuals. Conclusion The differences in learning between patient groups provides strong evidence in favor of implicit sequence learning depending solely on intact basal ganglia function with no contribution from the MTL memory system. PMID:23688213

Development of Implicit Methods in CFD NASA Ames Research Center 1970's - 1980's

NASA Technical Reports Server (NTRS)

Pulliam, Thomas H.

2010-01-01

The focus here is on the early development (mid 1970's-1980's) at NASA Ames Research Center of implicit methods in Computational Fluid Dynamics (CFD). A class of implicit finite difference schemes of the Beam and Warming approximate factorization type will be addressed. The emphasis will be on the Euler equations. A review of material pertinent to the solution of the Euler equations within the framework of implicit methods will be presented. The eigensystem of the equations will be used extensively in developing a framework for various methods applied to the Euler equations. The development and analysis of various aspects of this class of schemes will be given along with the motivations behind many of the choices. Various acceleration and efficiency modifications such as matrix reduction, diagonalization and flux split schemes will be presented.

Flexible parallel implicit modelling of coupled thermal-hydraulic-mechanical processes in fractured rocks

NASA Astrophysics Data System (ADS)

Cacace, Mauro; Jacquey, Antoine B.

2017-09-01

Theory and numerical implementation describing groundwater flow and the transport of heat and solute mass in fully saturated fractured rocks with elasto-plastic mechanical feedbacks are developed. In our formulation, fractures are considered as being of lower dimension than the hosting deformable porous rock and we consider their hydraulic and mechanical apertures as scaling parameters to ensure continuous exchange of fluid mass and energy within the fracture-solid matrix system. The coupled system of equations is implemented in a new simulator code that makes use of a Galerkin finite-element technique. The code builds on a flexible, object-oriented numerical framework (MOOSE, Multiphysics Object Oriented Simulation Environment) which provides an extensive scalable parallel and implicit coupling to solve for the multiphysics problem. The governing equations of groundwater flow, heat and mass transport, and rock deformation are solved in a weak sense (either by classical Newton-Raphson or by free Jacobian inexact Newton-Krylow schemes) on an underlying unstructured mesh. Nonlinear feedbacks among the active processes are enforced by considering evolving fluid and rock properties depending on the thermo-hydro-mechanical state of the system and the local structure, i.e. degree of connectivity, of the fracture system. A suite of applications is presented to illustrate the flexibility and capability of the new simulator to address problems of increasing complexity and occurring at different spatial (from centimetres to tens of kilometres) and temporal scales (from minutes to hundreds of years).

BIGHORN Computational Fluid Dynamics Theory, Methodology, and Code Verification & Validation Benchmark Problems

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

Xia, Yidong; Andrs, David; Martineau, Richard Charles

This document presents the theoretical background for a hybrid finite-element / finite-volume fluid flow solver, namely BIGHORN, based on the Multiphysics Object Oriented Simulation Environment (MOOSE) computational framework developed at the Idaho National Laboratory (INL). An overview of the numerical methods used in BIGHORN are discussed and followed by a presentation of the formulation details. The document begins with the governing equations for the compressible fluid flow, with an outline of the requisite constitutive relations. A second-order finite volume method used for solving the compressible fluid flow problems is presented next. A Pressure-Corrected Implicit Continuous-fluid Eulerian (PCICE) formulation for timemore » integration is also presented. The multi-fluid formulation is being developed. Although multi-fluid is not fully-developed, BIGHORN has been designed to handle multi-fluid problems. Due to the flexibility in the underlying MOOSE framework, BIGHORN is quite extensible, and can accommodate both multi-species and multi-phase formulations. This document also presents a suite of verification & validation benchmark test problems for BIGHORN. The intent for this suite of problems is to provide baseline comparison data that demonstrates the performance of the BIGHORN solution methods on problems that vary in complexity from laminar to turbulent flows. Wherever possible, some form of solution verification has been attempted to identify sensitivities in the solution methods, and suggest best practices when using BIGHORN.« less

Analysis of operator splitting errors for near-limit flame simulations

NASA Astrophysics Data System (ADS)

Lu, Zhen; Zhou, Hua; Li, Shan; Ren, Zhuyin; Lu, Tianfeng; Law, Chung K.

2017-04-01

High-fidelity simulations of ignition, extinction and oscillatory combustion processes are of practical interest in a broad range of combustion applications. Splitting schemes, widely employed in reactive flow simulations, could fail for stiff reaction-diffusion systems exhibiting near-limit flame phenomena. The present work first employs a model perfectly stirred reactor (PSR) problem with an Arrhenius reaction term and a linear mixing term to study the effects of splitting errors on the near-limit combustion phenomena. Analysis shows that the errors induced by decoupling of the fractional steps may result in unphysical extinction or ignition. The analysis is then extended to the prediction of ignition, extinction and oscillatory combustion in unsteady PSRs of various fuel/air mixtures with a 9-species detailed mechanism for hydrogen oxidation and an 88-species skeletal mechanism for n-heptane oxidation, together with a Jacobian-based analysis for the time scales. The tested schemes include the Strang splitting, the balanced splitting, and a newly developed semi-implicit midpoint method. Results show that the semi-implicit midpoint method can accurately reproduce the dynamics of the near-limit flame phenomena and it is second-order accurate over a wide range of time step size. For the extinction and ignition processes, both the balanced splitting and midpoint method can yield accurate predictions, whereas the Strang splitting can lead to significant shifts on the ignition/extinction processes or even unphysical results. With an enriched H radical source in the inflow stream, a delay of the ignition process and the deviation on the equilibrium temperature are observed for the Strang splitting. On the contrary, the midpoint method that solves reaction and diffusion together matches the fully implicit accurate solution. The balanced splitting predicts the temperature rise correctly but with an over-predicted peak. For the sustainable and decaying oscillatory combustion from cool flames, both the Strang splitting and the midpoint method can successfully capture the dynamic behavior, whereas the balanced splitting scheme results in significant errors.

Analysis of operator splitting errors for near-limit flame simulations

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

Lu, Zhen; Zhou, Hua; Li, Shan

High-fidelity simulations of ignition, extinction and oscillatory combustion processes are of practical interest in a broad range of combustion applications. Splitting schemes, widely employed in reactive flow simulations, could fail for stiff reaction–diffusion systems exhibiting near-limit flame phenomena. The present work first employs a model perfectly stirred reactor (PSR) problem with an Arrhenius reaction term and a linear mixing term to study the effects of splitting errors on the near-limit combustion phenomena. Analysis shows that the errors induced by decoupling of the fractional steps may result in unphysical extinction or ignition. The analysis is then extended to the prediction ofmore » ignition, extinction and oscillatory combustion in unsteady PSRs of various fuel/air mixtures with a 9-species detailed mechanism for hydrogen oxidation and an 88-species skeletal mechanism for n-heptane oxidation, together with a Jacobian-based analysis for the time scales. The tested schemes include the Strang splitting, the balanced splitting, and a newly developed semi-implicit midpoint method. Results show that the semi-implicit midpoint method can accurately reproduce the dynamics of the near-limit flame phenomena and it is second-order accurate over a wide range of time step size. For the extinction and ignition processes, both the balanced splitting and midpoint method can yield accurate predictions, whereas the Strang splitting can lead to significant shifts on the ignition/extinction processes or even unphysical results. With an enriched H radical source in the inflow stream, a delay of the ignition process and the deviation on the equilibrium temperature are observed for the Strang splitting. On the contrary, the midpoint method that solves reaction and diffusion together matches the fully implicit accurate solution. The balanced splitting predicts the temperature rise correctly but with an over-predicted peak. For the sustainable and decaying oscillatory combustion from cool flames, both the Strang splitting and the midpoint method can successfully capture the dynamic behavior, whereas the balanced splitting scheme results in significant errors.« less

Convergence Acceleration for Multistage Time-Stepping Schemes

NASA Technical Reports Server (NTRS)

Swanson, R. C.; Turkel, Eli L.; Rossow, C-C; Vasta, V. N.

2006-01-01

The convergence of a Runge-Kutta (RK) scheme with multigrid is accelerated by preconditioning with a fully implicit operator. With the extended stability of the Runge-Kutta scheme, CFL numbers as high as 1000 could be used. The implicit preconditioner addresses the stiffness in the discrete equations associated with stretched meshes. Numerical dissipation operators (based on the Roe scheme, a matrix formulation, and the CUSP scheme) as well as the number of RK stages are considered in evaluating the RK/implicit scheme. Both the numerical and computational efficiency of the scheme with the different dissipation operators are discussed. The RK/implicit scheme is used to solve the two-dimensional (2-D) and three-dimensional (3-D) compressible, Reynolds-averaged Navier-Stokes equations. In two dimensions, turbulent flows over an airfoil at subsonic and transonic conditions are computed. The effects of mesh cell aspect ratio on convergence are investigated for Reynolds numbers between 5.7 x 10(exp 6) and 100.0 x 10(exp 6). Results are also obtained for a transonic wing flow. For both 2-D and 3-D problems, the computational time of a well-tuned standard RK scheme is reduced at least a factor of four.

A diagonal algorithm for the method of pseudocompressibility. [for steady-state solution to incompressible Navier-Stokes equation

NASA Technical Reports Server (NTRS)

Rogers, S. E.; Kwak, D.; Chang, J. L. C.

1986-01-01

The method of pseudocompressibility has been shown to be an efficient method for obtaining a steady-state solution to the incompressible Navier-Stokes equations. Recent improvements to this method include the use of a diagonal scheme for the inversion of the equations at each iteration. The necessary transformations have been derived for the pseudocompressibility equations in generalized coordinates. The diagonal algorithm reduces the computing time necessary to obtain a steady-state solution by a factor of nearly three. Implicit viscous terms are maintained in the equations, and it has become possible to use fourth-order implicit dissipation. The steady-state solution is unchanged by the approximations resulting from the diagonalization of the equations. Computed results for flow over a two-dimensional backward-facing step and a three-dimensional cylinder mounted normal to a flat plate are presented for both the old and new algorithms. The accuracy and computing efficiency of these algorithms are compared.

Fast preconditioned multigrid solution of the Euler and Navier-Stokes equations for steady, compressible flows

NASA Astrophysics Data System (ADS)

Caughey, David A.; Jameson, Antony

2003-10-01

New versions of implicit algorithms are developed for the efficient solution of the Euler and Navier-Stokes equations of compressible flow. The methods are based on a preconditioned, lower-upper (LU) implementation of a non-linear, symmetric Gauss-Seidel (SGS) algorithm for use as a smoothing algorithm in a multigrid method. Previously, this method had been implemented for flows in quasi-one-dimensional ducts and for two-dimensional flows past airfoils on boundary-conforming O-type grids for a variety of symmetric limited positive (SLIP) spatial approximations, including the scalar dissipation and convective upwind split pressure (CUSP) schemes. Here results are presented for both inviscid and viscous (laminar) flows past airfoils on boundary-conforming C-type grids. The method is significantly faster than earlier explicit or implicit methods for inviscid problems, allowing solution of these problems to the level of truncation error in three to five multigrid cycles. Viscous solutions still require as many as twenty multigrid cycles.

Parameter investigation with line-implicit lower-upper symmetric Gauss-Seidel on 3D stretched grids

NASA Astrophysics Data System (ADS)

Otero, Evelyn; Eliasson, Peter

2015-03-01

An implicit lower-upper symmetric Gauss-Seidel (LU-SGS) solver has been implemented as a multigrid smoother combined with a line-implicit method as an acceleration technique for Reynolds-averaged Navier-Stokes (RANS) simulation on stretched meshes. The computational fluid dynamics code concerned is Edge, an edge-based finite volume Navier-Stokes flow solver for structured and unstructured grids. The paper focuses on the investigation of the parameters related to our novel line-implicit LU-SGS solver for convergence acceleration on 3D RANS meshes. The LU-SGS parameters are defined as the Courant-Friedrichs-Lewy number, the left-hand side dissipation, and the convergence of iterative solution of the linear problem arising from the linearisation of the implicit scheme. The influence of these parameters on the overall convergence is presented and default values are defined for maximum convergence acceleration. The optimised settings are applied to 3D RANS computations for comparison with explicit and line-implicit Runge-Kutta smoothing. For most of the cases, a computing time acceleration of the order of 2 is found depending on the mesh type, namely the boundary layer and the magnitude of residual reduction.

Implicit methods for efficient musculoskeletal simulation and optimal control

PubMed Central

van den Bogert, Antonie J.; Blana, Dimitra; Heinrich, Dieter

2011-01-01

The ordinary differential equations for musculoskeletal dynamics are often numerically stiff and highly nonlinear. Consequently, simulations require small time steps, and optimal control problems are slow to solve and have poor convergence. In this paper, we present an implicit formulation of musculoskeletal dynamics, which leads to new numerical methods for simulation and optimal control, with the expectation that we can mitigate some of these problems. A first order Rosenbrock method was developed for solving forward dynamic problems using the implicit formulation. It was used to perform real-time dynamic simulation of a complex shoulder arm system with extreme dynamic stiffness. Simulations had an RMS error of only 0.11 degrees in joint angles when running at real-time speed. For optimal control of musculoskeletal systems, a direct collocation method was developed for implicitly formulated models. The method was applied to predict gait with a prosthetic foot and ankle. Solutions were obtained in well under one hour of computation time and demonstrated how patients may adapt their gait to compensate for limitations of a specific prosthetic limb design. The optimal control method was also applied to a state estimation problem in sports biomechanics, where forces during skiing were estimated from noisy and incomplete kinematic data. Using a full musculoskeletal dynamics model for state estimation had the additional advantage that forward dynamic simulations, could be done with the same implicitly formulated model to simulate injuries and perturbation responses. While these methods are powerful and allow solution of previously intractable problems, there are still considerable numerical challenges, especially related to the convergence of gradient-based solvers. PMID:22102983

Efficient multiscale magnetic-domain analysis of iron-core material under mechanical stress

NASA Astrophysics Data System (ADS)

Nishikubo, Atsushi; Ito, Shumpei; Mifune, Takeshi; Matsuo, Tetsuji; Kaido, Chikara; Takahashi, Yasuhito; Fujiwara, Koji

2018-05-01

For an efficient analysis of magnetization, a partial-implicit solution method is improved using an assembled domain structure model with six-domain mesoscopic particles exhibiting pinning-type hysteresis. The quantitative analysis of non-oriented silicon steel succeeds in predicting the stress dependence of hysteresis loss with computation times greatly reduced by using the improved partial-implicit method. The effect of cell division along the thickness direction is also evaluated.

Implicitly-Defined Neural Networks for Sequence Labeling

DTIC Science & Technology

2016-09-09

this is to improve performance on long-range dependencies, and to improve stability (solution drift) in NLP tasks. We choose an implicit neural network...there have been NLP tasks, and there are many effective approaches to dealing with them. In the context of HMMs, there are the “Forward-Backward...Malyska for interesting discussion of related work, and Liz Salesky for NLP application suggestions! Tagger WSJ Accuracy Word vectors only 0.9626 Single

On pseudo-spectral time discretizations in summation-by-parts form

NASA Astrophysics Data System (ADS)

Ruggiu, Andrea A.; Nordström, Jan

2018-05-01

Fully-implicit discrete formulations in summation-by-parts form for initial-boundary value problems must be invertible in order to provide well functioning procedures. We prove that, under mild assumptions, pseudo-spectral collocation methods for the time derivative lead to invertible discrete systems when energy-stable spatial discretizations are used.

SMAUMAT_ITI

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

Jannetti, C.; Becker, R.

The software is an ABAQUS/Standard UMAT (user defined material behavior subroutine) that implements the constitutive model for shape-memory alloy materials developed by Jannetti et. al. (2003a) using a fully implicit time integration scheme to integrate the constitutive equations. The UMAT is used in conjunction with ABAQUS/Standard to perform a finite-element analysis of SMA materials.

Implicit Coupling Approach for Simulation of Charring Carbon Ablators

NASA Technical Reports Server (NTRS)

Chen, Yih-Kanq; Gokcen, Tahir

2013-01-01

This study demonstrates that coupling of a material thermal response code and a flow solver with nonequilibrium gas/surface interaction for simulation of charring carbon ablators can be performed using an implicit approach. The material thermal response code used in this study is the three-dimensional version of Fully Implicit Ablation and Thermal response program, which predicts charring material thermal response and shape change on hypersonic space vehicles. The flow code solves the reacting Navier-Stokes equations using Data Parallel Line Relaxation method. Coupling between the material response and flow codes is performed by solving the surface mass balance in flow solver and the surface energy balance in material response code. Thus, the material surface recession is predicted in flow code, and the surface temperature and pyrolysis gas injection rate are computed in material response code. It is demonstrated that the time-lagged explicit approach is sufficient for simulations at low surface heating conditions, in which the surface ablation rate is not a strong function of the surface temperature. At elevated surface heating conditions, the implicit approach has to be taken, because the carbon ablation rate becomes a stiff function of the surface temperature, and thus the explicit approach appears to be inappropriate resulting in severe numerical oscillations of predicted surface temperature. Implicit coupling for simulation of arc-jet models is performed, and the predictions are compared with measured data. Implicit coupling for trajectory based simulation of Stardust fore-body heat shield is also conducted. The predicted stagnation point total recession is compared with that predicted using the chemical equilibrium surface assumption

A Single Session of Attentional Bias Modification Reduces Alcohol Craving and Implicit Measures of Alcohol Bias in Young Adult Drinkers.

PubMed

Luehring-Jones, Peter; Louis, Courtney; Dennis-Tiwary, Tracy A; Erblich, Joel

2017-12-01

Attentional bias modification (ABM) techniques for reducing problematic alcohol consumption hold promise as highly accessible and cost-effective treatment approaches. A growing body of literature has examined ABM as a potentially efficacious intervention for reducing drinking and drinking-related cognitions in alcohol-dependent individuals as well as those at-risk of developing problem drinking habits. This study tested the effectiveness of a single session of visual probe-based ABM training in a cohort of 60 non-treatment-seeking young adult drinkers, with a focus on examining mechanisms underlying training efficacy. Participants were randomly assigned to a single session of active ABM training or a sham training condition in a laboratory setting. Measures of implicit drinking-related cognitions (alcohol Stroop and an Implicit Association Task) and attentional bias (AB; alcohol visual probe) were administered, and subjective alcohol craving was reported in response to in vivo alcohol cues. Results showed that active ABM training, relative to sham, resulted in significant differences in measures of implicit alcohol-related cognition, alcohol-related AB, and self-reports of alcohol craving. Mediation analysis showed that reductions in craving were fully mediated by ABM-related reductions in alcohol-Stroop interference scores, suggesting a previously undocumented relationship between the 2 measures. Results document the efficacy of brief ABM to reduce both implicit and explicit processes related to drinking, and highlight the potential intervention-relevance of alcohol-related implicit cognitions in social drinkers. Copyright © 2017 by the Research Society on Alcoholism.

The Magnetic Reconnection Code: an AMR-based fully implicit simulation suite

NASA Astrophysics Data System (ADS)

Germaschewski, K.; Bhattacharjee, A.; Ng, C.-S.

2006-12-01

Extended MHD models, which incorporate two-fluid effects, are promising candidates to enhance understanding of collisionless reconnection phenomena in laboratory, space and astrophysical plasma physics. In this paper, we introduce two simulation codes in the Magnetic Reconnection Code suite which integrate reduced and full extended MHD models. Numerical integration of these models comes with two challenges: Small-scale spatial structures, e.g. thin current sheets, develop and must be well resolved by the code. Adaptive mesh refinement (AMR) is employed to provide high resolution where needed while maintaining good performance. Secondly, the two-fluid effects in extended MHD give rise to dispersive waves, which lead to a very stringent CFL condition for explicit codes, while reconnection happens on a much slower time scale. We use a fully implicit Crank--Nicholson time stepping algorithm. Since no efficient preconditioners are available for our system of equations, we instead use a direct solver to handle the inner linear solves. This requires us to actually compute the Jacobian matrix, which is handled by a code generator that calculates the derivative symbolically and then outputs code to calculate it.

Fully-Implicit Orthogonal Reconstructed Discontinuous Galerkin for Fluid Dynamics with Phase Change

DOE PAGES

Nourgaliev, R.; Luo, H.; Weston, B.; ...

2015-11-11

A new reconstructed Discontinuous Galerkin (rDG) method, based on orthogonal basis/test functions, is developed for fluid flows on unstructured meshes. Orthogonality of basis functions is essential for enabling robust and efficient fully-implicit Newton-Krylov based time integration. The method is designed for generic partial differential equations, including transient, hyperbolic, parabolic or elliptic operators, which are attributed to many multiphysics problems. We demonstrate the method’s capabilities for solving compressible fluid-solid systems (in the low Mach number limit), with phase change (melting/solidification), as motivated by applications in Additive Manufacturing (AM). We focus on the method’s accuracy (in both space and time), as wellmore » as robustness and solvability of the system of linear equations involved in the linearization steps of Newton-based methods. The performance of the developed method is investigated for highly-stiff problems with melting/solidification, emphasizing the advantages from tight coupling of mass, momentum and energy conservation equations, as well as orthogonality of basis functions, which leads to better conditioning of the underlying (approximate) Jacobian matrices, and rapid convergence of the Krylov-based linear solver.« less

Stochastic level-set variational implicit-solvent approach to solute-solvent interfacial fluctuations

PubMed Central

Zhou, Shenggao; Sun, Hui; Cheng, Li-Tien; Dzubiella, Joachim; McCammon, J. Andrew

2016-01-01

Recent years have seen the initial success of a variational implicit-solvent model (VISM), implemented with a robust level-set method, in capturing efficiently different hydration states and providing quantitatively good estimation of solvation free energies of biomolecules. The level-set minimization of the VISM solvation free-energy functional of all possible solute-solvent interfaces or dielectric boundaries predicts an equilibrium biomolecular conformation that is often close to an initial guess. In this work, we develop a theory in the form of Langevin geometrical flow to incorporate solute-solvent interfacial fluctuations into the VISM. Such fluctuations are crucial to biomolecular conformational changes and binding process. We also develop a stochastic level-set method to numerically implement such a theory. We describe the interfacial fluctuation through the “normal velocity” that is the solute-solvent interfacial force, derive the corresponding stochastic level-set equation in the sense of Stratonovich so that the surface representation is independent of the choice of implicit function, and develop numerical techniques for solving such an equation and processing the numerical data. We apply our computational method to study the dewetting transition in the system of two hydrophobic plates and a hydrophobic cavity of a synthetic host molecule cucurbit[7]uril. Numerical simulations demonstrate that our approach can describe an underlying system jumping out of a local minimum of the free-energy functional and can capture dewetting transitions of hydrophobic systems. In the case of two hydrophobic plates, we find that the wavelength of interfacial fluctuations has a strong influence to the dewetting transition. In addition, we find that the estimated energy barrier of the dewetting transition scales quadratically with the inter-plate distance, agreeing well with existing studies of molecular dynamics simulations. Our work is a first step toward the inclusion of fluctuations into the VISM and understanding the impact of interfacial fluctuations on biomolecular solvation with an implicit-solvent approach. PMID:27497546

Optimizing the static-dynamic performance of the body-in-white using a modified non-dominated sorting genetic algorithm coupled with grey relational analysis

NASA Astrophysics Data System (ADS)

Wang, Dengfeng; Cai, Kefang

2018-04-01

This article presents a hybrid method combining a modified non-dominated sorting genetic algorithm (MNSGA-II) with grey relational analysis (GRA) to improve the static-dynamic performance of a body-in-white (BIW). First, an implicit parametric model of the BIW was built using SFE-CONCEPT software, and then the validity of the implicit parametric model was verified by physical testing. Eight shape design variables were defined for BIW beam structures based on the implicit parametric technology. Subsequently, MNSGA-II was used to determine the optimal combination of the design parameters that can improve the bending stiffness, torsion stiffness and low-order natural frequencies of the BIW without considerable increase in the mass. A set of non-dominated solutions was then obtained in the multi-objective optimization design. Finally, the grey entropy theory and GRA were applied to rank all non-dominated solutions from best to worst to determine the best trade-off solution. The comparison between the GRA and the technique for order of preference by similarity to ideal solution (TOPSIS) illustrated the reliability and rationality of GRA. Moreover, the effectiveness of the hybrid method was verified by the optimal results such that the bending stiffness, torsion stiffness, first order bending and first order torsion natural frequency were improved by 5.46%, 9.30%, 7.32% and 5.73%, respectively, with the mass of the BIW increasing by 1.30%.

A three-dimensional finite-volume Eulerian-Lagrangian Localized Adjoint Method (ELLAM) for solute-transport modeling

USGS Publications Warehouse

Heberton, C.I.; Russell, T.F.; Konikow, Leonard F.; Hornberger, G.Z.

2000-01-01

This report documents the U.S. Geological Survey Eulerian-Lagrangian Localized Adjoint Method (ELLAM) algorithm that solves an integral form of the solute-transport equation, incorporating an implicit-in-time difference approximation for the dispersive and sink terms. Like the algorithm in the original version of the U.S. Geological Survey MOC3D transport model, ELLAM uses a method of characteristics approach to solve the transport equation on the basis of the velocity field. The ELLAM algorithm, however, is based on an integral formulation of conservation of mass and uses appropriate numerical techniques to obtain global conservation of mass. The implicit procedure eliminates several stability criteria required for an explicit formulation. Consequently, ELLAM allows large transport time increments to be used. ELLAM can produce qualitatively good results using a small number of transport time steps. A description of the ELLAM numerical method, the data-input requirements and output options, and the results of simulator testing and evaluation are presented. The ELLAM algorithm was evaluated for the same set of problems used to test and evaluate Version 1 and Version 2 of MOC3D. These test results indicate that ELLAM offers a viable alternative to the explicit and implicit solvers in MOC3D. Its use is desirable when mass balance is imperative or a fast, qualitative model result is needed. Although accurate solutions can be generated using ELLAM, its efficiency relative to the two previously documented solution algorithms is problem dependent.

Mindful learning can promote connectedness to nature: Implicit and explicit evidence.

PubMed

Wang, Xue; Geng, Liuna; Zhou, Kexin; Ye, Lijuan; Ma, Yinglin; Zhang, Shuhao

2016-08-01

Environmental problems have attracted increasing attention, yet individuals' connectedness to nature remains a significant concern for potential solutions to these problems. In this article, we propose a novel method to promote connectedness to nature: mindful learning. One hundred and thirty-four students participated in the experiment. First, baseline measurements using the Connectedness to Nature Scale were obtained. Participants were then assigned to either a mindful or mindless learning condition. Finally, as a posttest, participants completed the Implicit Association Test and the Inclusion of Nature in the Self Scale. The performance of the mindful-learning group was better for both measures. Participants in the mindful-learning condition performed better on the Implicit Association Test and scored higher on the Inclusion of Nature in the Self Scale. These results provide empirical evidence that mindful learning may promote connectedness to nature, both implicitly and explicitly. Copyright © 2016 Elsevier Inc. All rights reserved.

Semi-implicit time integration of atmospheric flows with characteristic-based flux partitioning

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

Ghosh, Debojyoti; Constantinescu, Emil M.

2016-06-23

Here, this paper presents a characteristic-based flux partitioning for the semi-implicit time integration of atmospheric flows. Nonhydrostatic models require the solution of the compressible Euler equations. The acoustic time scale is significantly faster than the advective scale, yet it is typically not relevant to atmospheric and weather phenomena. The acoustic and advective components of the hyperbolic flux are separated in the characteristic space. High-order, conservative additive Runge-Kutta methods are applied to the partitioned equations so that the acoustic component is integrated in time implicitly with an unconditionally stable method, while the advective component is integrated explicitly. The time step ofmore » the overall algorithm is thus determined by the advective scale. Benchmark flow problems are used to demonstrate the accuracy, stability, and convergence of the proposed algorithm. The computational cost of the partitioned semi-implicit approach is compared with that of explicit time integration.« less

The Method of Space-time Conservation Element and Solution Element: Development of a New Implicit Solver

NASA Technical Reports Server (NTRS)

Chang, S. C.; Wang, X. Y.; Chow, C. Y.; Himansu, A.

1995-01-01

The method of space-time conservation element and solution element is a nontraditional numerical method designed from a physicist's perspective, i.e., its development is based more on physics than numerics. It uses only the simplest approximation techniques and yet is capable of generating nearly perfect solutions for a 2-D shock reflection problem used by Helen Yee and others. In addition to providing an overall view of the new method, we introduce a new concept in the design of implicit schemes, and use it to construct a highly accurate solver for a convection-diffusion equation. It is shown that, in the inviscid case, this new scheme becomes explicit and its amplification factors are identical to those of the Leapfrog scheme. On the other hand, in the pure diffusion case, its principal amplification factor becomes the amplification factor of the Crank-Nicolson scheme.

Calculation of flow about two-dimensional bodies by means of the velocity-vorticity formulation on a staggered grid

NASA Technical Reports Server (NTRS)

Stremel, Paul M.

1991-01-01

A method for calculating the incompressible viscous flow about two-dimensional bodies, utilizing the velocity-vorticity form of the Navier-Stokes equations using a staggered-grid formulation is presented. The solution is obtained by employing an alternative-direction implicit method for the solution of the block tridiagonal matrix resulting from the finite-difference representation of the governing equations. The boundary vorticity and the conservation of mass are calculated implicitly as a part of the solution. The mass conservation is calculated to machine zero for the duration of the computation. Calculations for the flow about a circular cylinder, a 2-pct thick flat plate at 90-deg incidence, an elliptic cylinder at 45-deg incidence, and a NACA 0012, with and without a deflected flap, at - 90-deg incidence are performed and compared with the results of other numerical investigations.

A solution to the surface intersection problem. [Boolean functions in geometric modeling

NASA Technical Reports Server (NTRS)

Timer, H. G.

1977-01-01

An application-independent geometric model within a data base framework should support the use of Boolean operators which allow the user to construct a complex model by appropriately combining a series of simple models. The use of these operators leads to the concept of implicitly and explicitly defined surfaces. With an explicitly defined model, the surface area may be computed by simply summing the surface areas of the bounding surfaces. For an implicitly defined model, the surface area computation must deal with active and inactive regions. Because the surface intersection problem involves four unknowns and its solution is a space curve, the parametric coordinates of each surface must be determined as a function of the arc length. Various subproblems involved in the general intersection problem are discussed, and the mathematical basis for their solution is presented along with a program written in FORTRAN IV for implementation on the IBM 370 TSO system.

Reply to Comment by Lu et al. on "An Efficient and Stable Hydrodynamic Model With Novel Source Term Discretization Schemes for Overland Flow and Flood Simulations"

NASA Astrophysics Data System (ADS)

Xia, Xilin; Liang, Qiuhua; Ming, Xiaodong; Hou, Jingming

2018-01-01

This document addresses the comments raised by Lu et al. (2017). Lu et al. (2017) proposed an alternative numerical treatment for implementing the fully implicit friction discretization in Xia et al. (2017). The method by Lu et al. (2017) is also effective, but not necessarily easier to implement or more efficient. The numerical wiggles observed by Lu et al. (2017) do not affect the overall solution accuracy of the surface reconstruction method (SRM). SRM introduces an antidiffusion effect, which may also lead to more accurate numerical predictions than hydrostatic reconstruction (HR) but may be the cause of the numerical wiggles. As suggested by Lu et al. (2017), HR may perform equally well if fine enough grids are used, which has been investigated and recognized in the literature. However, the use of refined meshes in simulations will inevitably increase computational cost and the grid sizes as suggested are too small for real-world applications.

An Implicit Algorithm for the Numerical Simulation of Shape-Memory Alloys

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

Becker, R; Stolken, J; Jannetti, C

Shape-memory alloys (SMA) have the potential to be used in a variety of interesting applications due to their unique properties of pseudoelasticity and the shape-memory effect. However, in order to design SMA devices efficiently, a physics-based constitutive model is required to accurately simulate the behavior of shape-memory alloys. The scope of this work is to extend the numerical capabilities of the SMA constitutive model developed by Jannetti et. al. (2003), to handle large-scale polycrystalline simulations. The constitutive model is implemented within the finite-element software ABAQUS/Standard using a user defined material subroutine, or UMAT. To improve the efficiency of the numericalmore » simulations, so that polycrystalline specimens of shape-memory alloys can be modeled, a fully implicit algorithm has been implemented to integrate the constitutive equations. Using an implicit integration scheme increases the efficiency of the UMAT over the previously implemented explicit integration method by a factor of more than 100 for single crystal simulations.« less

Fully implicit adaptive mesh refinement solver for 2D MHD

NASA Astrophysics Data System (ADS)

Philip, B.; Chacon, L.; Pernice, M.

2008-11-01

Application of implicit adaptive mesh refinement (AMR) to simulate resistive magnetohydrodynamics is described. Solving this challenging multi-scale, multi-physics problem can improve understanding of reconnection in magnetically-confined plasmas. AMR is employed to resolve extremely thin current sheets, essential for an accurate macroscopic description. Implicit time stepping allows us to accurately follow the dynamical time scale of the developing magnetic field, without being restricted by fast Alfven time scales. At each time step, the large-scale system of nonlinear equations is solved by a Jacobian-free Newton-Krylov method together with a physics-based preconditioner. Each block within the preconditioner is solved optimally using the Fast Adaptive Composite grid method, which can be considered as a multiplicative Schwarz method on AMR grids. We will demonstrate the excellent accuracy and efficiency properties of the method with several challenging reduced MHD applications, including tearing, island coalescence, and tilt instabilities. B. Philip, L. Chac'on, M. Pernice, J. Comput. Phys., in press (2008)

A Parallel Implicit Reconstructed Discontinuous Galerkin Method for Compressible Flows on Hybrid Grids

NASA Astrophysics Data System (ADS)

Xia, Yidong

The objective this work is to develop a parallel, implicit reconstructed discontinuous Galerkin (RDG) method using Taylor basis for the solution of the compressible Navier-Stokes equations on 3D hybrid grids. This third-order accurate RDG method is based on a hierarchical weighed essentially non- oscillatory reconstruction scheme, termed as HWENO(P1P 2) to indicate that a quadratic polynomial solution is obtained from the underlying linear polynomial DG solution via a hierarchical WENO reconstruction. The HWENO(P1P2) is designed not only to enhance the accuracy of the underlying DG(P1) method but also to ensure non-linear stability of the RDG method. In this reconstruction scheme, a quadratic polynomial (P2) solution is first reconstructed using a least-squares approach from the underlying linear (P1) discontinuous Galerkin solution. The final quadratic solution is then obtained using a Hermite WENO reconstruction, which is necessary to ensure the linear stability of the RDG method on 3D unstructured grids. The first derivatives of the quadratic polynomial solution are then reconstructed using a WENO reconstruction in order to eliminate spurious oscillations in the vicinity of strong discontinuities, thus ensuring the non-linear stability of the RDG method. The parallelization in the RDG method is based on a message passing interface (MPI) programming paradigm, where the METIS library is used for the partitioning of a mesh into subdomain meshes of approximately the same size. Both multi-stage explicit Runge-Kutta and simple implicit backward Euler methods are implemented for time advancement in the RDG method. In the implicit method, three approaches: analytical differentiation, divided differencing (DD), and automatic differentiation (AD) are developed and implemented to obtain the resulting flux Jacobian matrices. The automatic differentiation is a set of techniques based on the mechanical application of the chain rule to obtain derivatives of a function given as a computer program. By using an AD tool, the manpower can be significantly reduced for deriving the flux Jacobians, which can be quite complicated, tedious, and error-prone if done by hand or symbolic arithmetic software, depending on the complexity of the numerical flux scheme. In addition, the workload for code maintenance can also be largely reduced in case the underlying flux scheme is updated. The approximate system of linear equations arising from the Newton linearization is solved by the general minimum residual (GMRES) algorithm with lower-upper symmetric gauss-seidel (LUSGS) preconditioning. This GMRES+LU-SGS linear solver is the most robust and efficient for implicit time integration of the discretized Navier-Stokes equations when the AD-based flux Jacobians are provided other than the other two approaches. The developed HWENO(P1P2) method is used to compute a variety of well-documented compressible inviscid and viscous flow test cases on 3D hybrid grids, including some standard benchmark test cases such as the Sod shock tube, flow past a circular cylinder, and laminar flow past a at plate. The computed solutions are compared with either analytical solutions or experimental data, if available to assess the accuracy of the HWENO(P 1P2) method. Numerical results demonstrate that the HWENO(P 1P2) method is able to not only enhance the accuracy of the underlying HWENO(P1) method, but also ensure the linear and non-linear stability at the presence of strong discontinuities. An extensive study of grid convergence analysis on various types of elements: tetrahedron, prism, hexahedron, and hybrid prism/hexahedron, for a number of test cases indicates that the developed HWENO(P1P2) method is able to achieve the designed third-order accuracy of spatial convergence for smooth inviscid flows: one order higher than the underlying second-order DG(P1) method without significant increase in computing costs and storage requirements. The performance of the the developed GMRES+LU-SGS implicit method is compared with the multi-stage Runge-Kutta time stepping scheme for a number of test cases in terms of the timestep and CPU time. Numerical results indicate that the overall performance of the implicit method with AD-based Jacobians is order of magnitude better than the its explicit counterpart. Finally, a set of parallel scaling tests for both explicit and implicit methods is conducted on North Carolina State University's ARC cluster, demonstrating almost an ideal scalability of the RDG method. (Abstract shortened by UMI.)

Uncovering Implicit Assumptions: A Large-Scale Study on Students' Mental Models of Diffusion

ERIC Educational Resources Information Center

Stains, Marilyne; Sevian, Hannah

2015-01-01

Students' mental models of diffusion in a gas phase solution were studied through the use of the Structure and Motion of Matter (SAMM) survey. This survey permits identification of categories of ways students think about the structure of the gaseous solute and solvent, the origin of motion of gas particles, and trajectories of solute particles in…

Transport of reacting solutes subject to a moving dissolution boundary: Numerical methods and solutions

USGS Publications Warehouse

Willis, Catherine; Rubin, Jacob

1987-01-01

A moving boundary problem which arises during transport with precipitation-dissolution reactions is solved by three different numerical methods. Two of these methods (one explicit and one implicit) are based on an integral formulation of mass balance and lead to an approximation of a weak solution. These methods are compared to a front-tracking scheme. Although the two approaches are conceptually different, the numerical solutions showed good agreement. As the ratio of dispersion to convection decreases, the methods based on the integral formulation become computationally more efficient. Specific reactions were modeled to examine the dependence of the system on the physical and chemical parameters. Although the water flow rate does not explicitly appear in the equation for the velocity of the moving boundary, the speed of the boundary depends more on the flux rate than on the dispersion coefficient. The discontinuity in the gradient of the solute concentration profile at the boundary increases with convection and with the initial concentration of the mineral. Our implicit method is extended to allow participation of the solutes in complexation reactions as well as the precipitation-dissolution reaction. This extension is easily made and does not change the basic method.

Multiresolution and Explicit Methods for Vector Field Analysis and Visualization

NASA Technical Reports Server (NTRS)

1996-01-01

We first report on our current progress in the area of explicit methods for tangent curve computation. The basic idea of this method is to decompose the domain into a collection of triangles (or tetrahedra) and assume linear variation of the vector field over each cell. With this assumption, the equations which define a tangent curve become a system of linear, constant coefficient ODE's which can be solved explicitly. There are five different representation of the solution depending on the eigenvalues of the Jacobian. The analysis of these five cases is somewhat similar to the phase plane analysis often associate with critical point classification within the context of topological methods, but it is not exactly the same. There are some critical differences. Moving from one cell to the next as a tangent curve is tracked, requires the computation of the exit point which is an intersection of the solution of the constant coefficient ODE and the edge of a triangle. There are two possible approaches to this root computation problem. We can express the tangent curve into parametric form and substitute into an implicit form for the edge or we can express the edge in parametric form and substitute in an implicit form of the tangent curve. Normally the solution of a system of ODE's is given in parametric form and so the first approach is the most accessible and straightforward. The second approach requires the 'implicitization' of these parametric curves. The implicitization of parametric curves can often be rather difficult, but in this case we have been successful and have been able to develop algorithms and subsequent computer programs for both approaches. We will give these details along with some comparisons in a forthcoming research paper on this topic.

Aerothermodynamic Design Sensitivities for a Reacting Gas Flow Solver on an Unstructured Mesh Using a Discrete Adjoint Formulation

NASA Astrophysics Data System (ADS)

Thompson, Kyle Bonner

An algorithm is described to efficiently compute aerothermodynamic design sensitivities using a decoupled variable set. In a conventional approach to computing design sensitivities for reacting flows, the species continuity equations are fully coupled to the conservation laws for momentum and energy. In this algorithm, the species continuity equations are solved separately from the mixture continuity, momentum, and total energy equations. This decoupling simplifies the implicit system, so that the flow solver can be made significantly more efficient, with very little penalty on overall scheme robustness. Most importantly, the computational cost of the point implicit relaxation is shown to scale linearly with the number of species for the decoupled system, whereas the fully coupled approach scales quadratically. Also, the decoupled method significantly reduces the cost in wall time and memory in comparison to the fully coupled approach. This decoupled approach for computing design sensitivities with the adjoint system is demonstrated for inviscid flow in chemical non-equilibrium around a re-entry vehicle with a retro-firing annular nozzle. The sensitivities of the surface temperature and mass flow rate through the nozzle plenum are computed with respect to plenum conditions and verified against sensitivities computed using a complex-variable finite-difference approach. The decoupled scheme significantly reduces the computational time and memory required to complete the optimization, making this an attractive method for high-fidelity design of hypersonic vehicles.

Implicit integration methods for dislocation dynamics

DOE PAGES

Gardner, D. J.; Woodward, C. S.; Reynolds, D. R.; ...

2015-01-20

In dislocation dynamics simulations, strain hardening simulations require integrating stiff systems of ordinary differential equations in time with expensive force calculations, discontinuous topological events, and rapidly changing problem size. Current solvers in use often result in small time steps and long simulation times. Faster solvers may help dislocation dynamics simulations accumulate plastic strains at strain rates comparable to experimental observations. Here, this paper investigates the viability of high order implicit time integrators and robust nonlinear solvers to reduce simulation run times while maintaining the accuracy of the computed solution. In particular, implicit Runge-Kutta time integrators are explored as a waymore » of providing greater accuracy over a larger time step than is typically done with the standard second-order trapezoidal method. In addition, both accelerated fixed point and Newton's method are investigated to provide fast and effective solves for the nonlinear systems that must be resolved within each time step. Results show that integrators of third order are the most effective, while accelerated fixed point and Newton's method both improve solver performance over the standard fixed point method used for the solution of the nonlinear systems.« less

The transfer of category knowledge by macaques (Macaca mulatta) and humans (Homo sapiens).

PubMed

Zakrzewski, Alexandria C; Church, Barbara A; Smith, J David

2018-02-01

Cognitive psychologists distinguish implicit, procedural category learning (stimulus-response associations learned outside declarative cognition) from explicit-declarative category learning (conscious category rules). These systems are dissociated by category learning tasks with either a multidimensional, information-integration (II) solution or a unidimensional, rule-based (RB) solution. In the present experiments, humans and two monkeys learned II and RB category tasks fostering implicit and explicit learning, respectively. Then they received occasional transfer trials-never directly reinforced-drawn from untrained regions of the stimulus space. We hypothesized that implicit-procedural category learning-allied to associative learning-would transfer weakly because it is yoked to the training stimuli. This result was confirmed for humans and monkeys. We hypothesized that explicit category learning-allied to abstract category rules-would transfer robustly. This result was confirmed only for humans. That is, humans displayed explicit category knowledge that transferred flawlessly. Monkeys did not. This result illuminates the distinctive abstractness, stimulus independence, and representational portability of humans' explicit category rules. (PsycINFO Database Record (c) 2018 APA, all rights reserved).

Single-step methods for predicting orbital motion considering its periodic components

NASA Astrophysics Data System (ADS)

Lavrov, K. N.

1989-01-01

Modern numerical methods for integration of ordinary differential equations can provide accurate and universal solutions to celestial mechanics problems. The implicit single sequence algorithms of Everhart and multiple step computational schemes using a priori information on periodic components can be combined to construct implicit single sequence algorithms which combine their advantages. The construction and analysis of the properties of such algorithms are studied, utilizing trigonometric approximation of the solutions of differential equations containing periodic components. The algorithms require 10 percent more machine memory than the Everhart algorithms, but are twice as fast, and yield short term predictions valid for five to ten orbits with good accuracy and five to six times faster than algorithms using other methods.

Three dimensional PNS solutions of hypersonic internal flows with equilibrium chemistry

NASA Technical Reports Server (NTRS)

Liou, May-Fun

1989-01-01

An implicit procedure for solving parabolized Navier-Stokes equations under the assumption of a general equation of state for a gas in chemical equilibrium is given. A general and consistent approach for the evaluation of Jacobian matrices in the implicit operator avoids the use of unnecessary auxiliary quantities and approximations, and leads to a simple expression. Applications to two- and three-dimensional flow problems show efficiency in computer time and economy in storage.

A Semi-Implicit, Three-Dimensional Model for Estuarine Circulation

USGS Publications Warehouse

Smith, Peter E.

2006-01-01

A semi-implicit, finite-difference method for the numerical solution of the three-dimensional equations for circulation in estuaries is presented and tested. The method uses a three-time-level, leapfrog-trapezoidal scheme that is essentially second-order accurate in the spatial and temporal numerical approximations. The three-time-level scheme is shown to be preferred over a two-time-level scheme, especially for problems with strong nonlinearities. The stability of the semi-implicit scheme is free from any time-step limitation related to the terms describing vertical diffusion and the propagation of the surface gravity waves. The scheme does not rely on any form of vertical/horizontal mode-splitting to treat the vertical diffusion implicitly. At each time step, the numerical method uses a double-sweep method to transform a large number of small tridiagonal equation systems and then uses the preconditioned conjugate-gradient method to solve a single, large, five-diagonal equation system for the water surface elevation. The governing equations for the multi-level scheme are prepared in a conservative form by integrating them over the height of each horizontal layer. The layer-integrated volumetric transports replace velocities as the dependent variables so that the depth-integrated continuity equation that is used in the solution for the water surface elevation is linear. Volumetric transports are computed explicitly from the momentum equations. The resulting method is mass conservative, efficient, and numerically accurate.

A self-consistent phase-field approach to implicit solvation of charged molecules with Poisson-Boltzmann electrostatics

NASA Astrophysics Data System (ADS)

Sun, Hui; Wen, Jiayi; Zhao, Yanxiang; Li, Bo; McCammon, J. Andrew

2015-12-01

Dielectric boundary based implicit-solvent models provide efficient descriptions of coarse-grained effects, particularly the electrostatic effect, of aqueous solvent. Recent years have seen the initial success of a new such model, variational implicit-solvent model (VISM) [Dzubiella, Swanson, and McCammon Phys. Rev. Lett. 96, 087802 (2006) and J. Chem. Phys. 124, 084905 (2006)], in capturing multiple dry and wet hydration states, describing the subtle electrostatic effect in hydrophobic interactions, and providing qualitatively good estimates of solvation free energies. Here, we develop a phase-field VISM to the solvation of charged molecules in aqueous solvent to include more flexibility. In this approach, a stable equilibrium molecular system is described by a phase field that takes one constant value in the solute region and a different constant value in the solvent region, and smoothly changes its value on a thin transition layer representing a smeared solute-solvent interface or dielectric boundary. Such a phase field minimizes an effective solvation free-energy functional that consists of the solute-solvent interfacial energy, solute-solvent van der Waals interaction energy, and electrostatic free energy described by the Poisson-Boltzmann theory. We apply our model and methods to the solvation of single ions, two parallel plates, and protein complexes BphC and p53/MDM2 to demonstrate the capability and efficiency of our approach at different levels. With a diffuse dielectric boundary, our new approach can describe the dielectric asymmetry in the solute-solvent interfacial region. Our theory is developed based on rigorous mathematical studies and is also connected to the Lum-Chandler-Weeks theory (1999). We discuss these connections and possible extensions of our theory and methods.

A self-consistent phase-field approach to implicit solvation of charged molecules with Poisson-Boltzmann electrostatics.

PubMed

Sun, Hui; Wen, Jiayi; Zhao, Yanxiang; Li, Bo; McCammon, J Andrew

2015-12-28

Dielectric boundary based implicit-solvent models provide efficient descriptions of coarse-grained effects, particularly the electrostatic effect, of aqueous solvent. Recent years have seen the initial success of a new such model, variational implicit-solvent model (VISM) [Dzubiella, Swanson, and McCammon Phys. Rev. Lett. 96, 087802 (2006) and J. Chem. Phys. 124, 084905 (2006)], in capturing multiple dry and wet hydration states, describing the subtle electrostatic effect in hydrophobic interactions, and providing qualitatively good estimates of solvation free energies. Here, we develop a phase-field VISM to the solvation of charged molecules in aqueous solvent to include more flexibility. In this approach, a stable equilibrium molecular system is described by a phase field that takes one constant value in the solute region and a different constant value in the solvent region, and smoothly changes its value on a thin transition layer representing a smeared solute-solvent interface or dielectric boundary. Such a phase field minimizes an effective solvation free-energy functional that consists of the solute-solvent interfacial energy, solute-solvent van der Waals interaction energy, and electrostatic free energy described by the Poisson-Boltzmann theory. We apply our model and methods to the solvation of single ions, two parallel plates, and protein complexes BphC and p53/MDM2 to demonstrate the capability and efficiency of our approach at different levels. With a diffuse dielectric boundary, our new approach can describe the dielectric asymmetry in the solute-solvent interfacial region. Our theory is developed based on rigorous mathematical studies and is also connected to the Lum-Chandler-Weeks theory (1999). We discuss these connections and possible extensions of our theory and methods.

A self-consistent phase-field approach to implicit solvation of charged molecules with Poisson–Boltzmann electrostatics

PubMed Central

Sun, Hui; Wen, Jiayi; Zhao, Yanxiang; Li, Bo; McCammon, J. Andrew

2015-01-01

Dielectric boundary based implicit-solvent models provide efficient descriptions of coarse-grained effects, particularly the electrostatic effect, of aqueous solvent. Recent years have seen the initial success of a new such model, variational implicit-solvent model (VISM) [Dzubiella, Swanson, and McCammon Phys. Rev. Lett. 96, 087802 (2006) and J. Chem. Phys. 124, 084905 (2006)], in capturing multiple dry and wet hydration states, describing the subtle electrostatic effect in hydrophobic interactions, and providing qualitatively good estimates of solvation free energies. Here, we develop a phase-field VISM to the solvation of charged molecules in aqueous solvent to include more flexibility. In this approach, a stable equilibrium molecular system is described by a phase field that takes one constant value in the solute region and a different constant value in the solvent region, and smoothly changes its value on a thin transition layer representing a smeared solute-solvent interface or dielectric boundary. Such a phase field minimizes an effective solvation free-energy functional that consists of the solute-solvent interfacial energy, solute-solvent van der Waals interaction energy, and electrostatic free energy described by the Poisson–Boltzmann theory. We apply our model and methods to the solvation of single ions, two parallel plates, and protein complexes BphC and p53/MDM2 to demonstrate the capability and efficiency of our approach at different levels. With a diffuse dielectric boundary, our new approach can describe the dielectric asymmetry in the solute-solvent interfacial region. Our theory is developed based on rigorous mathematical studies and is also connected to the Lum–Chandler–Weeks theory (1999). We discuss these connections and possible extensions of our theory and methods. PMID:26723595

Estimation of daily stream flow of southeastern coastal plain watersheds by combining estimated magnitude and sequence

Treesearch

Herbert Ssegane; Devendra M. Amatya; E.W. Tollner; Zhaohua Dai; Jami E. Nettles

2013-01-01

Commonly used methods to predict streamflow at ungauged watersheds implicitly predict streamflow magnitude and temporal sequence concurrently. An alternative approach that has not been fully explored is the conceptualization of streamflow as a composite of two separable components of magnitude and sequence, where each component is estimated separately and then combined...

Flux-split algorithms for flows with non-equilibrium chemistry and vibrational relaxation

NASA Technical Reports Server (NTRS)

Grossman, B.; Cinnella, P.

1990-01-01

The present consideration of numerical computation methods for gas flows with nonequilibrium chemistry thermodynamics gives attention to an equilibrium model, a general nonequilibrium model, and a simplified model based on vibrational relaxation. Flux-splitting procedures are developed for the fully-coupled inviscid equations encompassing fluid dynamics and both chemical and internal energy-relaxation processes. A fully coupled and implicit large-block structure is presented which embodies novel forms of flux-vector split and flux-difference split algorithms valid for nonequilibrium flow; illustrative high-temperature shock tube and nozzle flow examples are given.

A GPU-based incompressible Navier-Stokes solver on moving overset grids

NASA Astrophysics Data System (ADS)

Chandar, Dominic D. J.; Sitaraman, Jayanarayanan; Mavriplis, Dimitri J.

2013-07-01

In pursuit of obtaining high fidelity solutions to the fluid flow equations in a short span of time, graphics processing units (GPUs) which were originally intended for gaming applications are currently being used to accelerate computational fluid dynamics (CFD) codes. With a high peak throughput of about 1 TFLOPS on a PC, GPUs seem to be favourable for many high-resolution computations. One such computation that involves a lot of number crunching is computing time accurate flow solutions past moving bodies. The aim of the present paper is thus to discuss the development of a flow solver on unstructured and overset grids and its implementation on GPUs. In its present form, the flow solver solves the incompressible fluid flow equations on unstructured/hybrid/overset grids using a fully implicit projection method. The resulting discretised equations are solved using a matrix-free Krylov solver using several GPU kernels such as gradient, Laplacian and reduction. Some of the simple arithmetic vector calculations are implemented using the CU++: An Object Oriented Framework for Computational Fluid Dynamics Applications using Graphics Processing Units, Journal of Supercomputing, 2013, doi:10.1007/s11227-013-0985-9 approach where GPU kernels are automatically generated at compile time. Results are presented for two- and three-dimensional computations on static and moving grids.

Communication Architecture in Mixed-Reality Simulations of Unmanned Systems

PubMed Central

2018-01-01

Verification of the correct functionality of multi-vehicle systems in high-fidelity scenarios is required before any deployment of such a complex system, e.g., in missions of remote sensing or in mobile sensor networks. Mixed-reality simulations where both virtual and physical entities can coexist and interact have been shown to be beneficial for development, testing, and verification of such systems. This paper deals with the problems of designing a certain communication subsystem for such highly desirable realistic simulations. Requirements of this communication subsystem, including proper addressing, transparent routing, visibility modeling, or message management, are specified prior to designing an appropriate solution. Then, a suitable architecture of this communication subsystem is proposed together with solutions to the challenges that arise when simultaneous virtual and physical message transmissions occur. The proposed architecture can be utilized as a high-fidelity network simulator for vehicular systems with implicit mobility models that are given by real trajectories of the vehicles. The architecture has been utilized within multiple projects dealing with the development and practical deployment of multi-UAV systems, which support the architecture’s viability and advantages. The provided experimental results show the achieved similarity of the communication characteristics of the fully deployed hardware setup to the setup utilizing the proposed mixed-reality architecture. PMID:29538290

Communication Architecture in Mixed-Reality Simulations of Unmanned Systems.

PubMed

Selecký, Martin; Faigl, Jan; Rollo, Milan

2018-03-14

Verification of the correct functionality of multi-vehicle systems in high-fidelity scenarios is required before any deployment of such a complex system, e.g., in missions of remote sensing or in mobile sensor networks. Mixed-reality simulations where both virtual and physical entities can coexist and interact have been shown to be beneficial for development, testing, and verification of such systems. This paper deals with the problems of designing a certain communication subsystem for such highly desirable realistic simulations. Requirements of this communication subsystem, including proper addressing, transparent routing, visibility modeling, or message management, are specified prior to designing an appropriate solution. Then, a suitable architecture of this communication subsystem is proposed together with solutions to the challenges that arise when simultaneous virtual and physical message transmissions occur. The proposed architecture can be utilized as a high-fidelity network simulator for vehicular systems with implicit mobility models that are given by real trajectories of the vehicles. The architecture has been utilized within multiple projects dealing with the development and practical deployment of multi-UAV systems, which support the architecture's viability and advantages. The provided experimental results show the achieved similarity of the communication characteristics of the fully deployed hardware setup to the setup utilizing the proposed mixed-reality architecture.

Application of an efficient hybrid scheme for aeroelastic analysis of advanced propellers

NASA Technical Reports Server (NTRS)

Srivastava, R.; Sankar, N. L.; Reddy, T. S. R.; Huff, D. L.

1989-01-01

An efficient 3-D hybrid scheme is applied for solving Euler equations to analyze advanced propellers. The scheme treats the spanwise direction semi-explicitly and the other two directions implicitly, without affecting the accuracy, as compared to a fully implicit scheme. This leads to a reduction in computer time and memory requirement. The calculated power coefficients for two advanced propellers, SR3 and SR7L, and various advanced ratios showed good correlation with experiment. Spanwise distribution of elemental power coefficient and steady pressure coefficient differences also showed good agreement with experiment. A study of the effect of structural flexibility on the performance of the advanced propellers showed that structural deformation due to centrifugal and aero loading should be included for better correlation.

Three-dimensional unstructured grid Euler computations using a fully-implicit, upwind method

NASA Technical Reports Server (NTRS)

Whitaker, David L.

1993-01-01

A method has been developed to solve the Euler equations on a three-dimensional unstructured grid composed of tetrahedra. The method uses an upwind flow solver with a linearized, backward-Euler time integration scheme. Each time step results in a sparse linear system of equations which is solved by an iterative, sparse matrix solver. Local-time stepping, switched evolution relaxation (SER), preconditioning and reuse of the Jacobian are employed to accelerate the convergence rate. Implicit boundary conditions were found to be extremely important for fast convergence. Numerical experiments have shown that convergence rates comparable to that of a multigrid, central-difference scheme are achievable on the same mesh. Results are presented for several grids about an ONERA M6 wing.

Adaptive Implicit Non-Equilibrium Radiation Diffusion

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

Philip, Bobby; Wang, Zhen; Berrill, Mark A

2013-01-01

We describe methods for accurate and efficient long term time integra- tion of non-equilibrium radiation diffusion systems: implicit time integration for effi- cient long term time integration of stiff multiphysics systems, local control theory based step size control to minimize the required global number of time steps while control- ling accuracy, dynamic 3D adaptive mesh refinement (AMR) to minimize memory and computational costs, Jacobian Free Newton-Krylov methods on AMR grids for efficient nonlinear solution, and optimal multilevel preconditioner components that provide level independent solver convergence.

Some observations on a new numerical method for solving Navier-Stokes equations

NASA Technical Reports Server (NTRS)

Kumar, A.

1981-01-01

An explicit-implicit technique for solving Navier-Stokes equations is described which, is much less complex than other implicit methods. It is used to solve a complex, two-dimensional, steady-state, supersonic-flow problem. The computational efficiency of the method and the quality of the solution obtained from it at high Courant-Friedrich-Lewy (CFL) numbers are discussed. Modifications are discussed and certain observations are made about the method which may be helpful in using it successfully.

Nonequilibrium thermo-chemical calculations using a diagonal implicit scheme

NASA Technical Reports Server (NTRS)

Imlay, Scott T.; Roberts, Donald W.; Soetrisno, Moeljo; Eberhardt, Scott

1991-01-01

A recently developed computer program for hypersonic vehicle flow analysis is described. The program uses a diagonal implicit algorithm to solve the equations of viscous flow for a gas in thermochemical nonequilibrium. The diagonal scheme eliminates the expense of inverting large block matrices that arise when species conservation equations are introduced. The program uses multiple zones of grids patched together and includes radiation wall and rarefied gas boundary conditions. Solutions are presented for hypersonic flows of air and hydrogen air mixtures.

On implicit abstract neutral nonlinear differential equations

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

Hernández, Eduardo, E-mail: lalohm@ffclrp.usp.br; O’Regan, Donal, E-mail: donal.oregan@nuigalway.ie

2016-04-15

In this paper we continue our developments in Hernández and O’Regan (J Funct Anal 261:3457–3481, 2011) on the existence of solutions for abstract neutral differential equations. In particular we extend the results in Hernández and O’Regan (J Funct Anal 261:3457–3481, 2011) for the case of implicit nonlinear neutral equations and we focus on applications to partial “nonlinear” neutral differential equations. Some applications involving partial neutral differential equations are presented.

The generalizability of gender bias: Testing the effects of contextual, explicit, and implicit sexism on labor arbitration decisions.

PubMed

Girvan, Erik J; Deason, Grace; Borgida, Eugene

2015-10-01

Decades of social-psychological research show that gender bias can result from features of the social context and from individual-level psychological predispositions. Do these sources of bias impact legal decisions, which are frequently made by people subject to factors that have been proposed to reduce bias (training and accountability)? To answer the question, we examined the potential for 3 major social-psychological theories of gender bias (role-congruity theory, ambivalent sexism, and implicit bias) to predict outcomes of labor arbitration decisions. In the first study, undergraduate students and professional arbitrators made decisions about 2 mock arbitration cases in which the gender of the employee-grievants was experimentally manipulated. Student participants' decisions showed the predicted gender bias, whereas the decisions of experienced professionals did not. Individual-level attitudes did not predict the extent of the observed bias and accountability did not attenuate it. In the second study, arbitrators' explicit and implicit gender attitudes were significant predictors of their decisions in published cases. The laboratory and field results suggest that context, expertise, and implicit and explicit attitudes are relevant to legal decision-making, but that laboratory experiments alone may not fully capture the nature of their effect on legal professionals' decisions in real cases. (c) 2015 APA, all rights reserved).

Advanced numerical methods for three dimensional two-phase flow calculations

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

Toumi, I.; Caruge, D.

1997-07-01

This paper is devoted to new numerical methods developed for both one and three dimensional two-phase flow calculations. These methods are finite volume numerical methods and are based on the use of Approximate Riemann Solvers concepts to define convective fluxes versus mean cell quantities. The first part of the paper presents the numerical method for a one dimensional hyperbolic two-fluid model including differential terms as added mass and interface pressure. This numerical solution scheme makes use of the Riemann problem solution to define backward and forward differencing to approximate spatial derivatives. The construction of this approximate Riemann solver uses anmore » extension of Roe`s method that has been successfully used to solve gas dynamic equations. As far as the two-fluid model is hyperbolic, this numerical method seems very efficient for the numerical solution of two-phase flow problems. The scheme was applied both to shock tube problems and to standard tests for two-fluid computer codes. The second part describes the numerical method in the three dimensional case. The authors discuss also some improvements performed to obtain a fully implicit solution method that provides fast running steady state calculations. Such a scheme is not implemented in a thermal-hydraulic computer code devoted to 3-D steady-state and transient computations. Some results obtained for Pressurised Water Reactors concerning upper plenum calculations and a steady state flow in the core with rod bow effect evaluation are presented. In practice these new numerical methods have proved to be stable on non staggered grids and capable of generating accurate non oscillating solutions for two-phase flow calculations.« less

Implicit solution of three-dimensional internal turbulent flows

NASA Technical Reports Server (NTRS)

Michelassi, V.; Liou, M.-S.; Povinelli, Louis A.; Martelli, F.

1991-01-01

The scalar form of the approximate factorization method was used to develop a new code for the solution of three dimensional internal laminar and turbulent compressible flows. The Navier-Stokes equations in their Reynolds-averaged form were iterated in time until a steady solution was reached. Evidence was given to the implicit and explicit artificial damping schemes that proved to be particularly efficient in speeding up convergence and enhancing the algorithm robustness. A conservative treatment of these terms at the domain boundaries was proposed in order to avoid undesired mass and/or momentum artificial fluxes. Turbulence effects were accounted for by the zero-equation Baldwin-Lomax turbulence model and the q-omega two-equation model. The flow in a developing S-duct was then solved in the laminar regime in a Reynolds number (Re) of 790 and in the turbulent regime at Re equals 40,000 by using the Baldwin-Lomax model. The Stanitz elbow was then solved by using an invicid version of the same code at M sub inlet equals 0.4. Grid dependence and convergence rate were investigated, showing that for this solver the implicit damping scheme may play a critical role for convergence characteristics. The same flow at Re equals 2.5 times 10(exp 6) was solved with the Baldwin-Lomax and the q-omega models. Both approaches show satisfactory agreement with experiments, although the q-omega model was slightly more accurate.

Predictive Sampling of Rare Conformational Events in Aqueous Solution: Designing a Generalized Orthogonal Space Tempering Method.

PubMed

Lu, Chao; Li, Xubin; Wu, Dongsheng; Zheng, Lianqing; Yang, Wei

2016-01-12

In aqueous solution, solute conformational transitions are governed by intimate interplays of the fluctuations of solute-solute, solute-water, and water-water interactions. To promote molecular fluctuations to enhance sampling of essential conformational changes, a common strategy is to construct an expanded Hamiltonian through a series of Hamiltonian perturbations and thereby broaden the distribution of certain interactions of focus. Due to a lack of active sampling of configuration response to Hamiltonian transitions, it is challenging for common expanded Hamiltonian methods to robustly explore solvent mediated rare conformational events. The orthogonal space sampling (OSS) scheme, as exemplified by the orthogonal space random walk and orthogonal space tempering methods, provides a general framework for synchronous acceleration of slow configuration responses. To more effectively sample conformational transitions in aqueous solution, in this work, we devised a generalized orthogonal space tempering (gOST) algorithm. Specifically, in the Hamiltonian perturbation part, a solvent-accessible-surface-area-dependent term is introduced to implicitly perturb near-solute water-water fluctuations; more importantly in the orthogonal space response part, the generalized force order parameter is generalized as a two-dimension order parameter set, in which essential solute-solvent and solute-solute components are separately treated. The gOST algorithm is evaluated through a molecular dynamics simulation study on the explicitly solvated deca-alanine (Ala10) peptide. On the basis of a fully automated sampling protocol, the gOST simulation enabled repetitive folding and unfolding of the solvated peptide within a single continuous trajectory and allowed for detailed constructions of Ala10 folding/unfolding free energy surfaces. The gOST result reveals that solvent cooperative fluctuations play a pivotal role in Ala10 folding/unfolding transitions. In addition, our assessment analysis suggests that because essential conformational events are mainly driven by the compensating fluctuations of essential solute-solvent and solute-solute interactions, commonly employed "predictive" sampling methods are unlikely to be effective on this seemingly "simple" system. The gOST development presented in this paper illustrates how to employ the OSS scheme for physics-based sampling method designs.

Quasi-brittle damage modeling based on incremental energy relaxation combined with a viscous-type regularization

NASA Astrophysics Data System (ADS)

Langenfeld, K.; Junker, P.; Mosler, J.

2018-05-01

This paper deals with a constitutive model suitable for the analysis of quasi-brittle damage in structures. The model is based on incremental energy relaxation combined with a viscous-type regularization. A similar approach—which also represents the inspiration for the improved model presented in this paper—was recently proposed in Junker et al. (Contin Mech Thermodyn 29(1):291-310, 2017). Within this work, the model introduced in Junker et al. (2017) is critically analyzed first. This analysis leads to an improved model which shows the same features as that in Junker et al. (2017), but which (i) eliminates unnecessary model parameters, (ii) can be better interpreted from a physics point of view, (iii) can capture a fully softened state (zero stresses), and (iv) is characterized by a very simple evolution equation. In contrast to the cited work, this evolution equation is (v) integrated fully implicitly and (vi) the resulting time-discrete evolution equation can be solved analytically providing a numerically efficient closed-form solution. It is shown that the final model is indeed well-posed (i.e., its tangent is positive definite). Explicit conditions guaranteeing this well-posedness are derived. Furthermore, by additively decomposing the stress rate into deformation- and purely time-dependent terms, the functionality of the model is explained. Illustrative numerical examples confirm the theoretical findings.

ABSINTH: A new continuum solvation model for simulations of polypeptides in aqueous solutions

PubMed Central

Vitalis, Andreas; Pappu, Rohit V.

2009-01-01

A new implicit solvation model for use in Monte Carlo simulations of polypeptides is introduced. The model is termed ABSINTH for self-Assembly of Biomolecules Studied by an Implicit, Novel, and Tunable Hamiltonian. It is designed primarily for simulating conformational equilibria and oligomerization reactions of intrinsically disordered proteins in aqueous solutions. The paradigm for ABSINTH is conceptually similar to the EEF1 model of Lazaridis and Karplus (Proteins: Struct. Func. Genet., 1999, 35: 133-152). In ABSINTH, the transfer of a polypeptide solute from the gas phase into a continuum solvent is the sum of a direct mean field interaction (DMFI), and a term to model the screening of polar interactions. Polypeptide solutes are decomposed into a set of distinct solvation groups. The DMFI is a sum of contributions from each of the solvation groups, which are analogs of model compounds. Continuum-mediated screening of electrostatic interactions is achieved using a framework similar to the one used for the DMFI. Promising results are shown for a set of test cases. These include the calculation of NMR coupling constants for short peptides, the assessment of the thermal stability of two small proteins, reversible folding of both an alpha-helix and a beta-hairpin forming peptide, and the polymeric properties of intrinsically disordered polyglutamine peptides of varying lengths. The tests reveal that the computational expense for simulations with the ABSINTH implicit solvation model increase by a factor that is in the range of 2.5-5.0 with respect to gas-phase calculations. PMID:18506808

Numerical solution of the stochastic parabolic equation with the dependent operator coefficient

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

Ashyralyev, Allaberen; Department of Mathematics, ITTU, Ashgabat; Okur, Ulker

2015-09-18

In the present paper, a single step implicit difference scheme for the numerical solution of the stochastic parabolic equation with the dependent operator coefficient is presented. Theorem on convergence estimates for the solution of this difference scheme is established. In applications, this abstract result permits us to obtain the convergence estimates for the solution of difference schemes for the numerical solution of initial boundary value problems for parabolic equations. The theoretical statements for the solution of this difference scheme are supported by the results of numerical experiments.

A nearly-linear computational-cost scheme for the forward dynamics of an N-body pendulum

NASA Technical Reports Server (NTRS)

Chou, Jack C. K.

1989-01-01

The dynamic equations of motion of an n-body pendulum with spherical joints are derived to be a mixed system of differential and algebraic equations (DAE's). The DAE's are kept in implicit form to save arithmetic and preserve the sparsity of the system and are solved by the robust implicit integration method. At each solution point, the predicted solution is corrected to its exact solution within given tolerance using Newton's iterative method. For each iteration, a linear system of the form J delta X = E has to be solved. The computational cost for solving this linear system directly by LU factorization is O(n exp 3), and it can be reduced significantly by exploring the structure of J. It is shown that by recognizing the recursive patterns and exploiting the sparsity of the system the multiplicative and additive computational costs for solving J delta X = E are O(n) and O(n exp 2), respectively. The formulation and solution method for an n-body pendulum is presented. The computational cost is shown to be nearly linearly proportional to the number of bodies.

Modulational instability and dynamics of implicit higher-order rogue wave solutions for the Kundu equation

NASA Astrophysics Data System (ADS)

Wen, Xiao-Yong; Zhang, Guoqiang

2018-01-01

Under investigation in this paper is the Kundu equation, which may be used to describe the propagation process of ultrashort optical pulses in nonlinear optics. The modulational instability of the plane-wave for the possible reason of the formation of the rogue wave (RW) is studied for the system. Based on our proposed generalized perturbation (n,N - n)-fold Darboux transformation (DT), some new higher-order implicit RW solutions in terms of determinants are obtained by means of the generalized perturbation (1,N - 1)-fold DT, when choosing different special parameters, these results will reduce to the RW solutions of the Kaup-Newell (KN) equation, Chen-Lee-Liu (CLL) equation and Gerjikov-Ivanov (GI) equation, respectively. The relevant wave structures are shown graphically, which display abundant interesting wave structures. The dynamical behaviors and propagation stability of the first-order and second-order RW solutions are discussed by using numerical simulations, the higher-order nonlinear terms for the Kundu equation have an impact on the propagation instability of the RW. The method can also be extended to find the higher-order RW or rational solutions of other integrable nonlinear equations.

Issues associated with Galilean invariance on a moving solid boundary in the lattice Boltzmann method

NASA Astrophysics Data System (ADS)

Peng, Cheng; Geneva, Nicholas; Guo, Zhaoli; Wang, Lian-Ping

2017-01-01

In lattice Boltzmann simulations involving moving solid boundaries, the momentum exchange between the solid and fluid phases was recently found to be not fully consistent with the principle of local Galilean invariance (GI) when the bounce-back schemes (BBS) and the momentum exchange method (MEM) are used. In the past, this inconsistency was resolved by introducing modified MEM schemes so that the overall moving-boundary algorithm could be more consistent with GI. However, in this paper we argue that the true origin of this violation of Galilean invariance (VGI) in the presence of a moving solid-fluid interface is due to the BBS itself, as the VGI error not only exists in the hydrodynamic force acting on the solid phase, but also in the boundary force exerted on the fluid phase, according to Newton's Third Law. The latter, however, has so far gone unnoticed in previously proposed modified MEM schemes. Based on this argument, we conclude that the previous modifications to the momentum exchange method are incomplete solutions to the VGI error in the lattice Boltzmann method (LBM). An implicit remedy to the VGI error in the LBM and its limitation is then revealed. To address the VGI error for a case when this implicit remedy does not exist, a bounce-back scheme based on coordinate transformation is proposed. Numerical tests in both laminar and turbulent flows show that the proposed scheme can effectively eliminate the errors associated with the usual bounce-back implementations on a no-slip solid boundary, and it can maintain an accurate momentum exchange calculation with minimal computational overhead.

Implicit time-marching solution of the Navier-Stokes equations for thrust reversing and thrust vectoring nozzle flows

NASA Technical Reports Server (NTRS)

Imlay, S. T.

1986-01-01

An implicit finite volume method is investigated for the solution of the compressible Navier-Stokes equations for flows within thrust reversing and thrust vectoring nozzles. Thrust reversing nozzles typically have sharp corners, and the rapid expansion and large turning angles near these corners are shown to cause unacceptable time step restrictions when conventional approximate factorization methods are used. In this investigation these limitations are overcome by using second-order upwind differencing and line Gauss-Siedel relaxation. This method is implemented with a zonal mesh so that flows through complex nozzle geometries may be efficiently calculated. Results are presented for five nozzle configurations including two with time varying geometries. Three cases are compared with available experimental data and the results are generally acceptable.

Penalty methods for the numerical solution of American multi-asset option problems

NASA Astrophysics Data System (ADS)

Nielsen, Bjørn Fredrik; Skavhaug, Ola; Tveito, Aslak

2008-12-01

We derive and analyze a penalty method for solving American multi-asset option problems. A small, non-linear penalty term is added to the Black-Scholes equation. This approach gives a fixed solution domain, removing the free and moving boundary imposed by the early exercise feature of the contract. Explicit, implicit and semi-implicit finite difference schemes are derived, and in the case of independent assets, we prove that the approximate option prices satisfy some basic properties of the American option problem. Several numerical experiments are carried out in order to investigate the performance of the schemes. We give examples indicating that our results are sharp. Finally, the experiments indicate that in the case of correlated underlying assets, the same properties are valid as in the independent case.

On a fourth order accurate implicit finite difference scheme for hyperbolic conservation laws. I - Nonstiff strongly dynamic problems

NASA Technical Reports Server (NTRS)

Harten, A.; Tal-Ezer, H.

1981-01-01

An implicit finite difference method of fourth order accuracy in space and time is introduced for the numerical solution of one-dimensional systems of hyperbolic conservation laws. The basic form of the method is a two-level scheme which is unconditionally stable and nondissipative. The scheme uses only three mesh points at level t and three mesh points at level t + delta t. The dissipative version of the basic method given is conditionally stable under the CFL (Courant-Friedrichs-Lewy) condition. This version is particularly useful for the numerical solution of problems with strong but nonstiff dynamic features, where the CFL restriction is reasonable on accuracy grounds. Numerical results are provided to illustrate properties of the proposed method.

Increasing Facilitator Effectiveness by Bridging Two Modes of Consciousness.

ERIC Educational Resources Information Center

Alperson, Erma Dosamantes

To fully explore the range of our human consciousness, we must have access to all available modes of experiencing: the bodily-implicit and the rational-explicit. To the extent that we become alienated from our bodily-felt side, we respond solely in terms of what the external situation demands. We lose sight of our own feelings and needs and…

Liberal Education and the Teleological Question; or Why Should a Dentist Read Chaucer?

ERIC Educational Resources Information Center

McIntyre, Kenneth B.

2013-01-01

This essay consists of an examination of the work of three thinkers who conceive of liberal education primarily in teleological terms, and, implicitly if not explicitly, attempt to offer some answer to the question: what does it mean to be fully human? John Henry Newman, T. S. Eliot, and Josef Pieper developed their understanding of liberal…

A GPU-accelerated implicit meshless method for compressible flows

NASA Astrophysics Data System (ADS)

Zhang, Jia-Le; Ma, Zhi-Hua; Chen, Hong-Quan; Cao, Cheng

2018-05-01

This paper develops a recently proposed GPU based two-dimensional explicit meshless method (Ma et al., 2014) by devising and implementing an efficient parallel LU-SGS implicit algorithm to further improve the computational efficiency. The capability of the original 2D meshless code is extended to deal with 3D complex compressible flow problems. To resolve the inherent data dependency of the standard LU-SGS method, which causes thread-racing conditions destabilizing numerical computation, a generic rainbow coloring method is presented and applied to organize the computational points into different groups by painting neighboring points with different colors. The original LU-SGS method is modified and parallelized accordingly to perform calculations in a color-by-color manner. The CUDA Fortran programming model is employed to develop the key kernel functions to apply boundary conditions, calculate time steps, evaluate residuals as well as advance and update the solution in the temporal space. A series of two- and three-dimensional test cases including compressible flows over single- and multi-element airfoils and a M6 wing are carried out to verify the developed code. The obtained solutions agree well with experimental data and other computational results reported in the literature. Detailed analysis on the performance of the developed code reveals that the developed CPU based implicit meshless method is at least four to eight times faster than its explicit counterpart. The computational efficiency of the implicit method could be further improved by ten to fifteen times on the GPU.

Nonuniform grid implicit spatial finite difference method for acoustic wave modeling in tilted transversely isotropic media

NASA Astrophysics Data System (ADS)

Chu, Chunlei; Stoffa, Paul L.

2012-01-01

Discrete earth models are commonly represented by uniform structured grids. In order to ensure accurate numerical description of all wave components propagating through these uniform grids, the grid size must be determined by the slowest velocity of the entire model. Consequently, high velocity areas are always oversampled, which inevitably increases the computational cost. A practical solution to this problem is to use nonuniform grids. We propose a nonuniform grid implicit spatial finite difference method which utilizes nonuniform grids to obtain high efficiency and relies on implicit operators to achieve high accuracy. We present a simple way of deriving implicit finite difference operators of arbitrary stencil widths on general nonuniform grids for the first and second derivatives and, as a demonstration example, apply these operators to the pseudo-acoustic wave equation in tilted transversely isotropic (TTI) media. We propose an efficient gridding algorithm that can be used to convert uniformly sampled models onto vertically nonuniform grids. We use a 2D TTI salt model to demonstrate its effectiveness and show that the nonuniform grid implicit spatial finite difference method can produce highly accurate seismic modeling results with enhanced efficiency, compared to uniform grid explicit finite difference implementations.

Time-asymptotic solutions of the Navier-Stokes equation for free shear flows using an alternating-direction implicit method

NASA Technical Reports Server (NTRS)

Rudy, D. H.; Morris, D. J.

1976-01-01

An uncoupled time asymptotic alternating direction implicit method for solving the Navier-Stokes equations was tested on two laminar parallel mixing flows. A constant total temperature was assumed in order to eliminate the need to solve the full energy equation; consequently, static temperature was evaluated by using algebraic relationship. For the mixing of two supersonic streams at a Reynolds number of 1,000, convergent solutions were obtained for a time step 5 times the maximum allowable size for an explicit method. The solution diverged for a time step 10 times the explicit limit. Improved convergence was obtained when upwind differencing was used for convective terms. Larger time steps were not possible with either upwind differencing or the diagonally dominant scheme. Artificial viscosity was added to the continuity equation in order to eliminate divergence for the mixing of a subsonic stream with a supersonic stream at a Reynolds number of 1,000.

Numerical aerodynamic simulation facility. [for flows about three-dimensional configurations

NASA Technical Reports Server (NTRS)

Bailey, F. R.; Hathaway, A. W.

1978-01-01

Critical to the advancement of computational aerodynamics capability is the ability to simulate flows about three-dimensional configurations that contain both compressible and viscous effects, including turbulence and flow separation at high Reynolds numbers. Analyses were conducted of two solution techniques for solving the Reynolds averaged Navier-Stokes equations describing the mean motion of a turbulent flow with certain terms involving the transport of turbulent momentum and energy modeled by auxiliary equations. The first solution technique is an implicit approximate factorization finite-difference scheme applied to three-dimensional flows that avoids the restrictive stability conditions when small grid spacing is used. The approximate factorization reduces the solution process to a sequence of three one-dimensional problems with easily inverted matrices. The second technique is a hybrid explicit/implicit finite-difference scheme which is also factored and applied to three-dimensional flows. Both methods are applicable to problems with highly distorted grids and a variety of boundary conditions and turbulence models.

An Implicit LU/AF FDTD Method

NASA Technical Reports Server (NTRS)

Beggs, John H.; Briley, W. Roger

2001-01-01

There has been some recent work to develop two and three-dimensional alternating direction implicit (ADI) FDTD schemes. These ADI schemes are based upon the original ADI concept developed by Peaceman and Rachford and Douglas and Gunn, which is a popular solution method in Computational Fluid Dynamics (CFD). These ADI schemes work well and they require solution of a tridiagonal system of equations. A new approach proposed in this paper applies a LU/AF approximate factorization technique from CFD to Maxwell s equations in flux conservative form for one space dimension. The result is a scheme that will retain its unconditional stability in three space dimensions, but does not require the solution of tridiagonal systems. The theory for this new algorithm is outlined in a one-dimensional context for clarity. An extension to two and threedimensional cases is discussed. Results of Fourier analysis are discussed for both stability and dispersion/damping properties of the algorithm. Results are presented for a one-dimensional model problem, and the explicit FDTD algorithm is chosen as a convenient reference for comparison.

The block adaptive multigrid method applied to the solution of the Euler equations

NASA Technical Reports Server (NTRS)

Pantelelis, Nikos

1993-01-01

In the present study, a scheme capable of solving very fast and robust complex nonlinear systems of equations is presented. The Block Adaptive Multigrid (BAM) solution method offers multigrid acceleration and adaptive grid refinement based on the prediction of the solution error. The proposed solution method was used with an implicit upwind Euler solver for the solution of complex transonic flows around airfoils. Very fast results were obtained (18-fold acceleration of the solution) using one fourth of the volumes of a global grid with the same solution accuracy for two test cases.

An Optimized Multicolor Point-Implicit Solver for Unstructured Grid Applications on Graphics Processing Units

NASA Technical Reports Server (NTRS)

Zubair, Mohammad; Nielsen, Eric; Luitjens, Justin; Hammond, Dana

2016-01-01

In the field of computational fluid dynamics, the Navier-Stokes equations are often solved using an unstructuredgrid approach to accommodate geometric complexity. Implicit solution methodologies for such spatial discretizations generally require frequent solution of large tightly-coupled systems of block-sparse linear equations. The multicolor point-implicit solver used in the current work typically requires a significant fraction of the overall application run time. In this work, an efficient implementation of the solver for graphics processing units is proposed. Several factors present unique challenges to achieving an efficient implementation in this environment. These include the variable amount of parallelism available in different kernel calls, indirect memory access patterns, low arithmetic intensity, and the requirement to support variable block sizes. In this work, the solver is reformulated to use standard sparse and dense Basic Linear Algebra Subprograms (BLAS) functions. However, numerical experiments show that the performance of the BLAS functions available in existing CUDA libraries is suboptimal for matrices representative of those encountered in actual simulations. Instead, optimized versions of these functions are developed. Depending on block size, the new implementations show performance gains of up to 7x over the existing CUDA library functions.

An Implicit Upwind Algorithm for Computing Turbulent Flows on Unstructured Grids

NASA Technical Reports Server (NTRS)

Anerson, W. Kyle; Bonhaus, Daryl L.

1994-01-01

An implicit, Navier-Stokes solution algorithm is presented for the computation of turbulent flow on unstructured grids. The inviscid fluxes are computed using an upwind algorithm and the solution is advanced in time using a backward-Euler time-stepping scheme. At each time step, the linear system of equations is approximately solved with a point-implicit relaxation scheme. This methodology provides a viable and robust algorithm for computing turbulent flows on unstructured meshes. Results are shown for subsonic flow over a NACA 0012 airfoil and for transonic flow over a RAE 2822 airfoil exhibiting a strong upper-surface shock. In addition, results are shown for 3 element and 4 element airfoil configurations. For the calculations, two one equation turbulence models are utilized. For the NACA 0012 airfoil, a pressure distribution and force data are compared with other computational results as well as with experiment. Comparisons of computed pressure distributions and velocity profiles with experimental data are shown for the RAE airfoil and for the 3 element configuration. For the 4 element case, comparisons of surface pressure distributions with experiment are made. In general, the agreement between the computations and the experiment is good.

Kindergartners’ Fluent Processing of Symbolic Numerical Magnitude is Predicted by Their Cardinal Knowledge and Implicit Understanding of Arithmetic Two Years Earlier

PubMed Central

Moore, Alex M.; vanMarle, Kristy; Geary, David C.

2016-01-01

Fluency in first graders’ processing of the magnitudes associated with Arabic numerals, collections of objects, and mixtures of objects and numerals predicts current and future mathematics achievement. The quantitative competencies that support the development of fluent processing of magnitude are not fully understood, however. At the beginning and end of preschool (M = 3 years, 9 months at first assessment; range 3 years, 3 months to 4years, 3 months), 112 (51 boys) children completed tasks measuring numeral recognition and comparison, acuity of the approximate number system, and knowledge of counting principles, cardinality, and implicit arithmetic, and completed a magnitude processing task (number sets test) in kindergarten. Use of Bayesian and linear regression techniques revealed that two measures of preschoolers’ cardinal knowledge and their competence at implicit arithmetic predicted later fluency of magnitude processing, controlling domain general factors, preliteracy skills, and parental education. The results help to narrow the search for the early foundation of children’s emerging competence with symbolic mathematics and provide direction for early interventions. PMID:27236038

Kindergartners' fluent processing of symbolic numerical magnitude is predicted by their cardinal knowledge and implicit understanding of arithmetic 2years earlier.

PubMed

Moore, Alex M; vanMarle, Kristy; Geary, David C

2016-10-01

Fluency in first graders' processing of the magnitudes associated with Arabic numerals, collections of objects, and mixtures of objects and numerals predicts current and future mathematics achievement. The quantitative competencies that support the development of fluent processing of magnitude, however, are not fully understood. At the beginning and end of preschool (M=3years 9months at first assessment, range=3years 3months to 4years 3months), 112 children (51 boys) completed tasks measuring numeral recognition and comparison, acuity of the approximate number system, and knowledge of counting principles, cardinality, and implicit arithmetic and also completed a magnitude processing task (number sets test) in kindergarten. Use of Bayesian and linear regression techniques revealed that two measures of preschoolers' cardinal knowledge and their competence at implicit arithmetic predicted later fluency of magnitude processing, controlling domain-general factors, preliteracy skills, and parental education. The results help to narrow the search for the early foundation of children's emerging competence with symbolic mathematics and provide direction for early interventions. Copyright © 2016 Elsevier Inc. All rights reserved.

DFT studies of the hydrated carbohydrate, glucose: optimization and DFTMD simulations of ten explicit waters superimposed with an implicit solvation method, COSMO

USDA-ARS?s Scientific Manuscript database

One of the most important and least understood properties of carbohydrates is their conformational profile in solution. The study of carbohydrates in solution is a most difficult computational problem, a result of the many soft conformational variables (hydroxyl groups) inherent in the structures of...

Effect of coordinate frame compatibility on the transfer of implicit and explicit learning across limbs

PubMed Central

Carroll, Timothy J.

2016-01-01

Insights into the neural representation of motor learning can be obtained by investigating how learning transfers to novel task conditions. We recently demonstrated that visuomotor rotation learning transferred strongly between left and right limbs when the task was performed in a sagittal workspace, which afforded a consistent remapping for the two limbs in both extrinsic and joint-based coordinates. In contrast, transfer was absent when performed in horizontal workspace, where the extrinsically defined perturbation required conflicting joint-based remapping for the left and right limbs. Because visuomotor learning is thought to be supported by both implicit and explicit forms of learning, however, it is unclear to what extent these distinct forms of learning contribute to interlimb transfer. In this study, we assessed the degree to which interlimb transfer, following visuomotor rotation training, reflects explicit vs. implicit learning by obtaining verbal reports of participants' aiming direction before each movement. We also determined the extent to which these distinct components of learning are constrained by the compatibility of coordinate systems by comparing transfer between groups of participants who reached to targets arranged in the horizontal and sagittal planes. Both sagittal and horizontal conditions displayed complete transfer of explicit learning to the untrained limb. In contrast, transfer of implicit learning was incomplete, but the sagittal condition showed greater transfer than the horizontal condition. These findings suggest that explicit strategies developed with one limb can be fully implemented in the opposite limb, whereas implicit transfer depends on the degree to which new sensorimotor maps are spatially compatible for the two limbs. PMID:27334955

Effect of coordinate frame compatibility on the transfer of implicit and explicit learning across limbs.

PubMed

Poh, Eugene; Carroll, Timothy J; Taylor, Jordan A

2016-09-01

Insights into the neural representation of motor learning can be obtained by investigating how learning transfers to novel task conditions. We recently demonstrated that visuomotor rotation learning transferred strongly between left and right limbs when the task was performed in a sagittal workspace, which afforded a consistent remapping for the two limbs in both extrinsic and joint-based coordinates. In contrast, transfer was absent when performed in horizontal workspace, where the extrinsically defined perturbation required conflicting joint-based remapping for the left and right limbs. Because visuomotor learning is thought to be supported by both implicit and explicit forms of learning, however, it is unclear to what extent these distinct forms of learning contribute to interlimb transfer. In this study, we assessed the degree to which interlimb transfer, following visuomotor rotation training, reflects explicit vs. implicit learning by obtaining verbal reports of participants' aiming direction before each movement. We also determined the extent to which these distinct components of learning are constrained by the compatibility of coordinate systems by comparing transfer between groups of participants who reached to targets arranged in the horizontal and sagittal planes. Both sagittal and horizontal conditions displayed complete transfer of explicit learning to the untrained limb. In contrast, transfer of implicit learning was incomplete, but the sagittal condition showed greater transfer than the horizontal condition. These findings suggest that explicit strategies developed with one limb can be fully implemented in the opposite limb, whereas implicit transfer depends on the degree to which new sensorimotor maps are spatially compatible for the two limbs. Copyright © 2016 the American Physiological Society.

Convective penetration in a young sun

NASA Astrophysics Data System (ADS)

Pratt, Jane; Baraffe, Isabelle; Goffrey, Tom; MUSIC developers group

2018-01-01

To interpret the high-quality data produced from recent space-missions it is necessary to study convection under realistic stellar conditions. We describe the multi-dimensional, time implicit, fully compressible, hydrodynamic, implicit large eddy simulation code MUSIC. We use MUSIC to study convection during an early stage in the evolution of our sun where the convection zone covers approximately half of the solar radius. This model of the young sun possesses a realistic stratification in density, temperature, and luminosity. We approach convection in a stellar context using extreme value theory and derive a new model for convective penetration, targeted for one-dimensional stellar evolution calculations. This model provides a scenario that can explain the observed lithium abundance in the sun and in solar-like stars at a range of ages.

Analysis of high-incidence separated flow past airfoils

NASA Technical Reports Server (NTRS)

Chia, K. N.; Osswald, G. A.; Chia, U.

1989-01-01

An unsteady Navier-Stokes (NS) analysis is developed and used to carefully examine high-incidence aerodynamic separated flows past airfoils. Clustered conformal C-grids are employed for the 12 percent thick symmetric Joukowski airfoil as well as for the NACA 0012 airfoil with a sharp trailing edge. The clustering is controlled by appropriate one-dimensional stretching transformations. An attempt is made to resolve many of the dominant scales of an unsteady flow with massive separation, while maintaining the transformation metrics to be smooth and continuous in the entire flow field. A fully implicit time-marching alternating-direction implicit-block Gaussian elimination (ADI-BGE) method is employed, in which no use is made of any explicit artificial dissipation. Detailed results are obtained for massively separated, unsteady flow past symmetric Joukowski and NACA 0012 airfoils.

On the solution of evolution equations based on multigrid and explicit iterative methods

NASA Astrophysics Data System (ADS)

Zhukov, V. T.; Novikova, N. D.; Feodoritova, O. B.

2015-08-01

Two schemes for solving initial-boundary value problems for three-dimensional parabolic equations are studied. One is implicit and is solved using the multigrid method, while the other is explicit iterative and is based on optimal properties of the Chebyshev polynomials. In the explicit iterative scheme, the number of iteration steps and the iteration parameters are chosen as based on the approximation and stability conditions, rather than on the optimization of iteration convergence to the solution of the implicit scheme. The features of the multigrid scheme include the implementation of the intergrid transfer operators for the case of discontinuous coefficients in the equation and the adaptation of the smoothing procedure to the spectrum of the difference operators. The results produced by these schemes as applied to model problems with anisotropic discontinuous coefficients are compared.

Multigrid time-accurate integration of Navier-Stokes equations

NASA Technical Reports Server (NTRS)

Arnone, Andrea; Liou, Meng-Sing; Povinelli, Louis A.

1993-01-01

Efficient acceleration techniques typical of explicit steady-state solvers are extended to time-accurate calculations. Stability restrictions are greatly reduced by means of a fully implicit time discretization. A four-stage Runge-Kutta scheme with local time stepping, residual smoothing, and multigridding is used instead of traditional time-expensive factorizations. Some applications to natural and forced unsteady viscous flows show the capability of the procedure.

Mendelian Genetics as a Platform for Teaching about Nature of Science and Scientific Inquiry: The Value of Textbooks

ERIC Educational Resources Information Center

Campanile, Megan F.; Lederman, Norman G.; Kampourakis, Kostas

2015-01-01

The purpose of this study was to analyze seven widely used high school biology textbooks in order to assess the nature of science knowledge (NOS) and scientific inquiry (SI) aspects they, explicitly or implicitly, conveyed in the Mendelian genetics sections. Textbook excerpts that directly and/or fully matched our statements about NOS and SI were…

Bullying and defending behavior: The role of explicit and implicit moral cognition.

PubMed

Pozzoli, Tiziana; Gini, Gianluca; Thornberg, Robert

2016-12-01

Research on bullying has highlighted the role of morality in explaining the different behavior of students during bullying episodes. However, the research has been limited to the analysis of explicit measures of moral characteristics and moral reasoning, whereas implicit measures have yet to be fully considered. To overcome this limitation, this study investigated the association between bullying and defending, on one hand, and both explicit (moral disengagement, self-importance of moral values) and implicit (immediate affect toward moral stimuli [IAMS]) moral components, on the other hand. Young adolescents (N=279, mean age=11years, 9months, 44.4% girls) completed a series of self-report scales and individually performed a computer task investigating the IAMS. Two hierarchical regressions (bootstrapping method) were performed. Results showed that moral disengagement was associated with bullying and defending behavior at high levels of IAMS, however not when IAMS was low. In contrast, self-importance of moral values was not significantly associated to the two behaviors when IAMS was high whereas both associations were significant at low levels of IAMS. These results significantly expand previous knowledge about the role of morality in bullying and defending behavior. In particular, they highlight the role of the interaction between explicit and implicit moral dimensions in predicting bullying and defending behaviors. Copyright © 2016 Society for the Study of School Psychology. Published by Elsevier Ltd. All rights reserved.

Early Neural Markers of Implicit Attitudes: N170 Modulated by Intergroup and Evaluative Contexts in IAT.

PubMed

Ibáñez, Agustín; Gleichgerrcht, Ezequiel; Hurtado, Esteban; González, Ramiro; Haye, Andrés; Manes, Facundo F

2010-01-01

The Implicit Association Test (IAT) is the most popular measure to evaluate implicit attitudes. Nevertheless, its neural correlates are not yet fully understood. We examined event related potentials (ERPs) in response to face- and word processing while indigenous and non-indigenous participants performed an IAT displaying faces (ingroup and outgroup members) and words (positive and negative valence) as targets of category judgments. The N170 component was modulated by valence of words and by ingroup/outgroup face categorization. Contextual effects (face-words implicitly associated in the task) had an influence on the N170 amplitude modulation. On the one hand, in face categorization, right N170 showed differences according to the association between social categories of faces and affective valence of words. On the other, in word categorization, left N170 presented a similar modulation when the task implied a negative-valence associated with ingroup faces. Only indigenous participants showed a significant IAT effect and N170 differences. Our results demonstrate an early ERP blending of stimuli processing with both intergroup and evaluative contexts, suggesting an integration of contextual information related to intergroup attitudes during the early stages of word and face processing. To our knowledge, this is the first report of early ERPs during an ethnicity IAT, opening a new branch of exchange between social neuroscience and social psychology of attitudes.

Assessment of a 3-D boundary layer code to predict heat transfer and flow losses in a turbine

NASA Technical Reports Server (NTRS)

Anderson, O. L.

1984-01-01

Zonal concepts are utilized to delineate regions of application of three-dimensional boundary layer (DBL) theory. The zonal approach requires three distinct analyses. A modified version of the 3-DBL code named TABLET is used to analyze the boundary layer flow. This modified code solves the finite difference form of the compressible 3-DBL equations in a nonorthogonal surface coordinate system which includes coriolis forces produced by coordinate rotation. These equations are solved using an efficient, implicit, fully coupled finite difference procedure. The nonorthogonal surface coordinate system is calculated using a general analysis based on the transfinite mapping of Gordon which is valid for any arbitrary surface. Experimental data is used to determine the boundary layer edge conditions. The boundary layer edge conditions are determined by integrating the boundary layer edge equations, which are the Euler equations at the edge of the boundary layer, using the known experimental wall pressure distribution. Starting solutions along the inflow boundaries are estimated by solving the appropriate limiting form of the 3-DBL equations.

A NUMERICAL SCHEME FOR SPECIAL RELATIVISTIC RADIATION MAGNETOHYDRODYNAMICS BASED ON SOLVING THE TIME-DEPENDENT RADIATIVE TRANSFER EQUATION

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

Ohsuga, Ken; Takahashi, Hiroyuki R.

2016-02-20

We develop a numerical scheme for solving the equations of fully special relativistic, radiation magnetohydrodynamics (MHDs), in which the frequency-integrated, time-dependent radiation transfer equation is solved to calculate the specific intensity. The radiation energy density, the radiation flux, and the radiation stress tensor are obtained by the angular quadrature of the intensity. In the present method, conservation of total mass, momentum, and energy of the radiation magnetofluids is guaranteed. We treat not only the isotropic scattering but also the Thomson scattering. The numerical method of MHDs is the same as that of our previous work. The advection terms are explicitlymore » solved, and the source terms, which describe the gas–radiation interaction, are implicitly integrated. Our code is suitable for massive parallel computing. We present that our code shows reasonable results in some numerical tests for propagating radiation and radiation hydrodynamics. Particularly, the correct solution is given even in the optically very thin or moderately thin regimes, and the special relativistic effects are nicely reproduced.« less

An implicit-iterative solution of the heat conduction equation with a radiation boundary condition

NASA Technical Reports Server (NTRS)

Williams, S. D.; Curry, D. M.

1977-01-01

For the problem of predicting one-dimensional heat transfer between conducting and radiating mediums by an implicit finite difference method, four different formulations were used to approximate the surface radiation boundary condition while retaining an implicit formulation for the interior temperature nodes. These formulations are an explicit boundary condition, a linearized boundary condition, an iterative boundary condition, and a semi-iterative boundary method. The results of these methods in predicting surface temperature on the space shuttle orbiter thermal protection system model under a variety of heating rates were compared. The iterative technique caused the surface temperature to be bounded at each step. While the linearized and explicit methods were generally more efficient, the iterative and semi-iterative techniques provided a realistic surface temperature response without requiring step size control techniques.

Sensitivity analysis for parametric generalized implicit quasi-variational-like inclusions involving P-[eta]-accretive mappings

NASA Astrophysics Data System (ADS)

Kazmi, K. R.; Khan, F. A.

2008-01-01

In this paper, using proximal-point mapping technique of P-[eta]-accretive mapping and the property of the fixed-point set of set-valued contractive mappings, we study the behavior and sensitivity analysis of the solution set of a parametric generalized implicit quasi-variational-like inclusion involving P-[eta]-accretive mapping in real uniformly smooth Banach space. Further, under suitable conditions, we discuss the Lipschitz continuity of the solution set with respect to the parameter. The technique and results presented in this paper can be viewed as extension of the techniques and corresponding results given in [R.P. Agarwal, Y.-J. Cho, N.-J. Huang, Sensitivity analysis for strongly nonlinear quasi-variational inclusions, Appl. MathE Lett. 13 (2002) 19-24; S. Dafermos, Sensitivity analysis in variational inequalities, Math. Oper. Res. 13 (1988) 421-434; X.-P. Ding, Sensitivity analysis for generalized nonlinear implicit quasi-variational inclusions, Appl. Math. Lett. 17 (2) (2004) 225-235; X.-P. Ding, Parametric completely generalized mixed implicit quasi-variational inclusions involving h-maximal monotone mappings, J. Comput. Appl. Math. 182 (2) (2005) 252-269; X.-P. Ding, C.L. Luo, On parametric generalized quasi-variational inequalities, J. Optim. Theory Appl. 100 (1999) 195-205; Z. Liu, L. Debnath, S.M. Kang, J.S. Ume, Sensitivity analysis for parametric completely generalized nonlinear implicit quasi-variational inclusions, J. Math. Anal. Appl. 277 (1) (2003) 142-154; R.N. Mukherjee, H.L. Verma, Sensitivity analysis of generalized variational inequalities, J. Math. Anal. Appl. 167 (1992) 299-304; M.A. Noor, Sensitivity analysis framework for general quasi-variational inclusions, Comput. Math. Appl. 44 (2002) 1175-1181; M.A. Noor, Sensitivity analysis for quasivariational inclusions, J. Math. Anal. Appl. 236 (1999) 290-299; J.Y. Park, J.U. Jeong, Parametric generalized mixed variational inequalities, Appl. Math. Lett. 17 (2004) 43-48].

On the performance of explicit and implicit algorithms for transient thermal analysis

NASA Astrophysics Data System (ADS)

Adelman, H. M.; Haftka, R. T.

1980-09-01

The status of an effort to increase the efficiency of calculating transient temperature fields in complex aerospace vehicle structures is described. The advantages and disadvantages of explicit and implicit algorithms are discussed. A promising set of implicit algorithms, known as the GEAR package is described. Four test problems, used for evaluating and comparing various algorithms, have been selected and finite element models of the configurations are discribed. These problems include a space shuttle frame component, an insulated cylinder, a metallic panel for a thermal protection system and a model of the space shuttle orbiter wing. Calculations were carried out using the SPAR finite element program, the MITAS lumped parameter program and a special purpose finite element program incorporating the GEAR algorithms. Results generally indicate a preference for implicit over explicit algorithms for solution of transient structural heat transfer problems when the governing equations are stiff. Careful attention to modeling detail such as avoiding thin or short high-conducting elements can sometimes reduce the stiffness to the extent that explicit methods become advantageous.

An energy- and charge-conserving, implicit, electrostatic particle-in-cell algorithm

NASA Astrophysics Data System (ADS)

Chen, G.; Chacón, L.; Barnes, D. C.

2011-08-01

This paper discusses a novel fully implicit formulation for a one-dimensional electrostatic particle-in-cell (PIC) plasma simulation approach. Unlike earlier implicit electrostatic PIC approaches (which are based on a linearized Vlasov-Poisson formulation), ours is based on a nonlinearly converged Vlasov-Ampére (VA) model. By iterating particles and fields to a tight nonlinear convergence tolerance, the approach features superior stability and accuracy properties, avoiding most of the accuracy pitfalls in earlier implicit PIC implementations. In particular, the formulation is stable against temporal (Courant-Friedrichs-Lewy) and spatial (aliasing) instabilities. It is charge- and energy-conserving to numerical round-off for arbitrary implicit time steps (unlike the earlier "energy-conserving" explicit PIC formulation, which only conserves energy in the limit of arbitrarily small time steps). While momentum is not exactly conserved, errors are kept small by an adaptive particle sub-stepping orbit integrator, which is instrumental to prevent particle tunneling (a deleterious effect for long-term accuracy). The VA model is orbit-averaged along particle orbits to enforce an energy conservation theorem with particle sub-stepping. As a result, very large time steps, constrained only by the dynamical time scale of interest, are possible without accuracy loss. Algorithmically, the approach features a Jacobian-free Newton-Krylov solver. A main development in this study is the nonlinear elimination of the new-time particle variables (positions and velocities). Such nonlinear elimination, which we term particle enslavement, results in a nonlinear formulation with memory requirements comparable to those of a fluid computation, and affords us substantial freedom in regards to the particle orbit integrator. Numerical examples are presented that demonstrate the advertised properties of the scheme. In particular, long-time ion acoustic wave simulations show that numerical accuracy does not degrade even with very large implicit time steps, and that significant CPU gains are possible.

The Implicit Positive and Negative Affect Test: Validity and Relationship with Cardiovascular Stress-Responses

PubMed Central

van der Ploeg, Melanie M.; Brosschot, Jos F.; Thayer, Julian F.; Verkuil, Bart

2016-01-01

Self-report, i.e., explicit, measures of affect cannot fully explain the cardiovascular (CV) responses to stressors. Measuring affect beyond self-report, i.e., using implicit measures, could add to our understanding of stress-related CV activity. The Implicit Positive and Negative Affect Test (IPANAT) was administered in two studies to test its ecological validity and relation with CV responses and self-report measures of affect. In Study 1 students (N = 34) viewed four film clips inducing anger, happiness, fear, or no emotion, and completed the IPANAT and the Positive And Negative Affect Scale at baseline and after each clip. Implicit negative affect (INA) was higher and implicit positive affect (IPA) was lower after the anger inducing clip and vice versa after the happiness inducing clip. In Study 2 students performed a stressful math task with (n = 14) or without anger harassment (n = 15) and completed the IPANAT and a Visual Analog Scale as an explicit measure afterwards. Systolic (SBP), diastolic (DBP) blood pressure, heart rate (HR), heart rate variability (HRV), and total peripheral resistance (TPR) were recorded throughout. SBP and DBP were higher and TPR was lower in the harassment condition during the task with a prolonged effect on SBP and DBP during recovery. As expected, explicit negative affect (ENA) was higher and explicit positive affect (EPA) lower after harassment, but ENA and EPA were not related to CV activity. Although neither INA nor IPA differed between the tasks, during both tasks higher INA was related to higher SBP, lower HRV and lower TPR and to slower recovery of DBP after both tasks. Low IPA was related to slower recovery of SBP and DBP after the tasks. Implicit affect was not related to recovery of HR, HRV, and TPR. In conclusion, the IPANAT seems to respond to film clip-induced negative and positive affect and was related to CV activity during and after stressful tasks. These findings support the theory that implicitly measured affect can add to the explanation of prolonged stress-related CV responses that influence CV health. PMID:27065908

The Implicit Positive and Negative Affect Test: Validity and Relationship with Cardiovascular Stress-Responses.

PubMed

van der Ploeg, Melanie M; Brosschot, Jos F; Thayer, Julian F; Verkuil, Bart

2016-01-01

Self-report, i.e., explicit, measures of affect cannot fully explain the cardiovascular (CV) responses to stressors. Measuring affect beyond self-report, i.e., using implicit measures, could add to our understanding of stress-related CV activity. The Implicit Positive and Negative Affect Test (IPANAT) was administered in two studies to test its ecological validity and relation with CV responses and self-report measures of affect. In Study 1 students (N = 34) viewed four film clips inducing anger, happiness, fear, or no emotion, and completed the IPANAT and the Positive And Negative Affect Scale at baseline and after each clip. Implicit negative affect (INA) was higher and implicit positive affect (IPA) was lower after the anger inducing clip and vice versa after the happiness inducing clip. In Study 2 students performed a stressful math task with (n = 14) or without anger harassment (n = 15) and completed the IPANAT and a Visual Analog Scale as an explicit measure afterwards. Systolic (SBP), diastolic (DBP) blood pressure, heart rate (HR), heart rate variability (HRV), and total peripheral resistance (TPR) were recorded throughout. SBP and DBP were higher and TPR was lower in the harassment condition during the task with a prolonged effect on SBP and DBP during recovery. As expected, explicit negative affect (ENA) was higher and explicit positive affect (EPA) lower after harassment, but ENA and EPA were not related to CV activity. Although neither INA nor IPA differed between the tasks, during both tasks higher INA was related to higher SBP, lower HRV and lower TPR and to slower recovery of DBP after both tasks. Low IPA was related to slower recovery of SBP and DBP after the tasks. Implicit affect was not related to recovery of HR, HRV, and TPR. In conclusion, the IPANAT seems to respond to film clip-induced negative and positive affect and was related to CV activity during and after stressful tasks. These findings support the theory that implicitly measured affect can add to the explanation of prolonged stress-related CV responses that influence CV health.

Coupled Hydro-Mechanical Modeling of Fluid Geological Storage

NASA Astrophysics Data System (ADS)

Castelletto, N.; Garipov, T.; Tchelepi, H. A.

2013-12-01

The accurate modeling of the complex coupled physical processes occurring during the injection and the post-injection period is a key factor for assessing the safety and the feasibility of anthropogenic carbon dioxide (CO2) sequestration in subsurface formations. In recent years, it has become widely accepted the importance of the coupling between fluid flow and geomechanical response in constraining the sustainable pressure buildup caused by fluid injection relative to the caprock sealing capacity, induced seismicity effects and ground surface stability [e.g., Rutqvist, 2012; Castelletto et al., 2013]. Here, we present a modeling approach based on a suitable combination of Finite Volumes (FVs) and Finite Elements (FEs) to solve the coupled system of partial differential equations governing the multiphase flow in a deformable porous medium. Specifically, a FV method is used for the flow problem while the FE method is adopted to address the poro-elasto-plasticity equations. The aim of the present work is to compare the performance and the robustness of unconditionally stable sequential-implicit schemes [Kim et al., 2011] and the fully-implicit method in solving the algebraic systems arising from the discretization of the governing equations, for both normally conditioned and severely ill-conditioned problems. The two approaches are tested against well-known analytical solutions and experimented with in a realistic application of CO2 injection in a synthetic aquifer. References: - Castelletto N., G. Gambolati, and P. Teatini (2013), Geological CO2 sequestration in multi-compartment reservoirs: Geomechanical challenges, J. Geophys. Res. Solid Earth, 118, 2417-2428, doi:10.1002/jgrb.50180. - Kim J., H. A. Tchelepi, and R. Juanes (2011), Stability, accuracy and efficiency of sequential methods for coupled flow and geomechanics, SPE J., 16(2), 249-262. - Rutqvist J. (2012), The geomechanics of CO2 storage in deep sedimentary formations, Geotech. Geol. Eng., 30, 525-551.

The Numerical Technique for the Landslide Tsunami Simulations Based on Navier-Stokes Equations

NASA Astrophysics Data System (ADS)

Kozelkov, A. S.

2017-12-01

The paper presents an integral technique simulating all phases of a landslide-driven tsunami. The technique is based on the numerical solution of the system of Navier-Stokes equations for multiphase flows. The numerical algorithm uses a fully implicit approximation method, in which the equations of continuity and momentum conservation are coupled through implicit summands of pressure gradient and mass flow. The method we propose removes severe restrictions on the time step and allows simulation of tsunami propagation to arbitrarily large distances. The landslide origin is simulated as an individual phase being a Newtonian fluid with its own density and viscosity and separated from the water and air phases by an interface. The basic formulas of equation discretization and expressions for coefficients are presented, and the main steps of the computation procedure are described in the paper. To enable simulations of tsunami propagation across wide water areas, we propose a parallel algorithm of the technique implementation, which employs an algebraic multigrid method. The implementation of the multigrid method is based on the global level and cascade collection algorithms that impose no limitations on the paralleling scale and make this technique applicable to petascale systems. We demonstrate the possibility of simulating all phases of a landslide-driven tsunami, including its generation, propagation and uprush. The technique has been verified against the problems supported by experimental data. The paper describes the mechanism of incorporating bathymetric data to simulate tsunamis in real water areas of the world ocean. Results of comparison with the nonlinear dispersion theory, which has demonstrated good agreement, are presented for the case of a historical tsunami of volcanic origin on the Montserrat Island in the Caribbean Sea.

A finite-volume module for all-scale Earth-system modelling at ECMWF

NASA Astrophysics Data System (ADS)

Kühnlein, Christian; Malardel, Sylvie; Smolarkiewicz, Piotr

2017-04-01

We highlight recent advancements in the development of the finite-volume module (FVM) (Smolarkiewicz et al., 2016) for the IFS at ECMWF. FVM represents an alternative dynamical core that complements the operational spectral dynamical core of the IFS with new capabilities. Most notably, these include a compact-stencil finite-volume discretisation, flexible meshes, conservative non-oscillatory transport and all-scale governing equations. As a default, FVM solves the compressible Euler equations in a geospherical framework (Szmelter and Smolarkiewicz, 2010). The formulation incorporates a generalised terrain-following vertical coordinate. A hybrid computational mesh, fully unstructured in the horizontal and structured in the vertical, enables efficient global atmospheric modelling. Moreover, a centred two-time-level semi-implicit integration scheme is employed with 3D implicit treatment of acoustic, buoyant, and rotational modes. The associated 3D elliptic Helmholtz problem is solved using a preconditioned Generalised Conjugate Residual approach. The solution procedure employs the non-oscillatory finite-volume MPDATA advection scheme that is bespoke for the compressible dynamics on the hybrid mesh (Kühnlein and Smolarkiewicz, 2017). The recent progress of FVM is illustrated with results of benchmark simulations of intermediate complexity, and comparison to the operational spectral dynamical core of the IFS. C. Kühnlein, P.K. Smolarkiewicz: An unstructured-mesh finite-volume MPDATA for compressible atmospheric dynamics, J. Comput. Phys. (2017), in press. P.K. Smolarkiewicz, W. Deconinck, M. Hamrud, C. Kühnlein, G. Mozdzynski, J. Szmelter, N.P. Wedi: A finite-volume module for simulating global all-scale atmospheric flows, J. Comput. Phys. 314 (2016) 287-304. J. Szmelter, P.K. Smolarkiewicz: An edge-based unstructured mesh discretisation in geospherical framework, J. Comput. Phys. 229 (2010) 4980-4995.

Simulation of geothermal water extraction in heterogeneous reservoirs using dynamic unstructured mesh optimisation

NASA Astrophysics Data System (ADS)

Salinas, P.; Pavlidis, D.; Jacquemyn, C.; Lei, Q.; Xie, Z.; Pain, C.; Jackson, M.

2017-12-01

It is well known that the pressure gradient into a production well increases with decreasing distance to the well. To properly capture the local pressure drawdown into the well a high grid or mesh resolution is required; moreover, the location of the well must be captured accurately. In conventional simulation models, the user must interact with the model to modify grid resolution around wells of interest, and the well location is approximated on a grid defined early in the modelling process.We report a new approach for improved simulation of near wellbore flow in reservoir scale models through the use of dynamic mesh optimisation and the recently presented double control volume finite element method. Time is discretized using an adaptive, implicit approach. Heterogeneous geologic features are represented as volumes bounded by surfaces. Within these volumes, termed geologic domains, the material properties are constant. Up-, cross- or down-scaling of material properties during dynamic mesh optimization is not required, as the properties are uniform within each geologic domain. A given model typically contains numerous such geologic domains. Wells are implicitly coupled with the domain, and the fluid flows is modelled inside the wells. The method is novel for two reasons. First, a fully unstructured tetrahedral mesh is used to discretize space, and the spatial location of the well is specified via a line vector, ensuring its location even if the mesh is modified during the simulation. The well location is therefore accurately captured, the approach allows complex well trajectories and wells with many laterals to be modelled. Second, computational efficiency is increased by use of dynamic mesh optimization, in which an unstructured mesh adapts in space and time to key solution fields (preserving the geometry of the geologic domains), such as pressure, velocity or temperature, this also increases the quality of the solutions by placing higher resolution where required to reduce an error metric based on the Hessian of the field. This allows the local pressure drawdown to be captured without user¬ driven modification of the mesh. We demonstrate that the method has wide application in reservoir ¬scale models of geothermal fields, and regional models of groundwater resources.

Convective penetration in stars

NASA Astrophysics Data System (ADS)

Pratt, Jane; Baraffe, Isabelle; Goffrey, Tom; Constantino, Tom; Popov, M. V.; Walder, Rolf; Folini, Doris; TOFU Collaboration

To interpret the high-quality data produced from recent space-missions it is necessary to study convection under realistic stellar conditions. We describe the multi-dimensional, time implicit, fully compressible, hydrodynamic, implicit large eddy simulation code MUSIC, currently being developed at the University of Exeter. We use MUSIC to study convection during an early stage in the evolution of our sun where the convection zone covers approximately half of the solar radius. This model of the young sun possesses a realistic stratification in density, temperature, and luminosity. We approach convection in a stellar context using extreme value theory and derive a new model for convective penetration, targeted for one-dimensional stellar evolution calculations. The research leading to these results has received funding from the European Research Council under the European Union's Seventh Framework (FP7/2007-2013)/ERC Grant agreement no. 320478.

MPDATA: Third-order accuracy for variable flows

NASA Astrophysics Data System (ADS)

Waruszewski, Maciej; Kühnlein, Christian; Pawlowska, Hanna; Smolarkiewicz, Piotr K.

2018-04-01

This paper extends the multidimensional positive definite advection transport algorithm (MPDATA) to third-order accuracy for temporally and spatially varying flows. This is accomplished by identifying the leading truncation error of the standard second-order MPDATA, performing the Cauchy-Kowalevski procedure to express it in a spatial form and compensating its discrete representation-much in the same way as the standard MPDATA corrects the first-order accurate upwind scheme. The procedure of deriving the spatial form of the truncation error was automated using a computer algebra system. This enables various options in MPDATA to be included straightforwardly in the third-order scheme, thereby minimising the implementation effort in existing code bases. Following the spirit of MPDATA, the error is compensated using the upwind scheme resulting in a sign-preserving algorithm, and the entire scheme can be formulated using only two upwind passes. Established MPDATA enhancements, such as formulation in generalised curvilinear coordinates, the nonoscillatory option or the infinite-gauge variant, carry over to the fully third-order accurate scheme. A manufactured 3D analytic solution is used to verify the theoretical development and its numerical implementation, whereas global tracer-transport benchmarks demonstrate benefits for chemistry-transport models fundamental to air quality monitoring, forecasting and control. A series of explicitly-inviscid implicit large-eddy simulations of a convective boundary layer and explicitly-viscid simulations of a double shear layer illustrate advantages of the fully third-order-accurate MPDATA for fluid dynamics applications.

Towards development of enhanced fully-Lagrangian mesh-free computational methods for fluid-structure interaction

NASA Astrophysics Data System (ADS)

Khayyer, Abbas; Gotoh, Hitoshi; Falahaty, Hosein; Shimizu, Yuma

2018-02-01

Simulation of incompressible fluid flow-elastic structure interactions is targeted by using fully-Lagrangian mesh-free computational methods. A projection-based fluid model (moving particle semi-implicit (MPS)) is coupled with either a Newtonian or a Hamiltonian Lagrangian structure model (MPS or HMPS) in a mathematically-physically consistent manner. The fluid model is founded on the solution of Navier-Stokes and continuity equations. The structure models are configured either in the framework of Newtonian mechanics on the basis of conservation of linear and angular momenta, or Hamiltonian mechanics on the basis of variational principle for incompressible elastodynamics. A set of enhanced schemes are incorporated for projection-based fluid model (Enhanced MPS), thus, the developed coupled solvers for fluid structure interaction (FSI) are referred to as Enhanced MPS-MPS and Enhanced MPS-HMPS. Besides, two smoothed particle hydrodynamics (SPH)-based FSI solvers, being developed by the authors, are considered and their potential applicability and comparable performance are briefly discussed in comparison with MPS-based FSI solvers. The SPH-based FSI solvers are established through coupling of projection-based incompressible SPH (ISPH) fluid model and SPH-based Newtonian/Hamiltonian structure models, leading to Enhanced ISPH-SPH and Enhanced ISPH-HSPH. A comparative study is carried out on the performances of the FSI solvers through a set of benchmark tests, including hydrostatic water column on an elastic plate, high speed impact of an elastic aluminum beam, hydroelastic slamming of a marine panel and dam break with elastic gate.

Finite element computation of compressible flows with the SUPG formulation

NASA Technical Reports Server (NTRS)

Le Beau, G. J.; Tezduyar, T. E.

1991-01-01

Finite element computation of compressible Euler equations is presented in the context of the streamline-upwind/Petrov-Galerkin (SUPG) formulation. The SUPG formulation, which is based on adding stabilizing terms to the Galerkin formulation, is further supplemented with a shock capturing operator which addresses the difficulty in maintaining a satisfactory solution near discontinuities in the solution field. The shock capturing operator, which has been derived from work done in entropy variables for a similar operator, is shown to lead to an appropriate level of additional stabilization near shocks, without resulting in excessive numerical diffusion. An implicit treatment of the impermeable wall boundary condition is also presented. This treatment of the no-penetration condition offers increased stability for large Courant numbers, and accelerated convergence of the computations for both implicit and explicit applications. Several examples are presented to demonstrate the ability of this method to solve the equations governing compressible fluid flow.

Chemistry-split techniques for viscous reactive blunt body flow computations

NASA Technical Reports Server (NTRS)

Li, C. P.

1987-01-01

The weak-coupling structure between the fluid and species equations has been exploited and resulted in three, closely related, time-iterative implicit techniques. While the primitive variables are solved in two separated groups and each by an Alternating Direction Implicit (ADI) factorization scheme, the rate-species Jacobian can be treated in either full or diagonal matrix form, or simply ignored. The latter two versions render the split technique to solving for species as scalar rather than vector variables. The solution is completed at the end of each iteration after determining temperature and pressure from the flow density, energy and species concentrations. Numerical experimentation has shown that the split scalar technique, using partial rate Jacobian, yields the best overall stability and consistency. Satisfactory viscous solutions were obtained for an ellipsoidal body of axis ratio 3:1 at Mach 35 and an angle of attack of 20 degrees.

An implicit solution of the three-dimensional Navier-Stokes equations for an airfoil spanning a wind tunnel. Ph.D. Thesis

NASA Technical Reports Server (NTRS)

Moitra, A.

1982-01-01

An implicit finite-difference algorithm is developed for the numerical solution of the incompressible three dimensional Navier-Stokes equations in the non-conservative primitive-variable formulation. The flow field about an airfoil spanning a wind-tunnel is computed. The coordinate system is generated by an extension of the two dimensional body-fitted coordinate generation techniques of Thompson, as well as that of Sorenson, into three dimensions. Two dimensional grids are stacked along a spanwise coordinate defined by a simple analytical function. A Poisson pressure equation for advancing the pressure in time is arrived at by performing a divergence operation on the momentum equations. The pressure at each time-step is calculated on the assumption that continuity be unconditionally satisfied. An eddy viscosity coefficient, computed according to the algebraic turbulence formulation of Baldwin and Lomax, simulates the effects of turbulence.

The effect of implicitly incentivized faking on explicit and implicit measures of doping attitude: when athletes want to pretend an even more negative attitude to doping.

PubMed

Wolff, Wanja; Schindler, Sebastian; Brand, Ralf

2015-01-01

The Implicit Association Test (IAT) aims to measure participants' automatic evaluation of an attitude object and is useful especially for the measurement of attitudes related to socially sensitive subjects, e.g. doping in sports. Several studies indicate that IAT scores can be faked on instruction. But fully or semi-instructed research scenarios might not properly reflect what happens in more realistic situations, when participants secretly decide to try faking the test. The present study is the first to investigate IAT faking when there is only an implicit incentive to do so. Sixty-five athletes (22.83 years ± 2.45; 25 women) were randomly assigned to an incentive-to-fake condition or a control condition. Participants in the incentive-to-fake condition were manipulated to believe that athletes with lenient doping attitudes would be referred to a tedious 45-minute anti-doping program. Attitudes were measured with the pictorial doping brief IAT (BIAT) and with the Performance Enhancement Attitude Scale (PEAS). A one-way MANOVA revealed significant differences between conditions after the manipulation in PEAS scores, but not in the doping BIAT. In the light of our hypothesis this suggests that participants successfully faked an exceedingly negative attitude to doping when completing the PEAS, but were unsuccessful in doing so on the reaction time-based test. This study assessed BIAT faking in a setting that aimed to resemble a situation in which participants want to hide their attempts to cheat. The two measures of attitude were differentially affected by the implicit incentive. Our findings provide evidence that the pictorial doping BIAT is relatively robust against spontaneous and naïve faking attempts. (B)IATs might be less prone to faking than implied by previous studies.

Fully-Implicit Reconstructed Discontinuous Galerkin Method for Stiff Multiphysics Problems

NASA Astrophysics Data System (ADS)

Nourgaliev, Robert

2015-11-01

A new reconstructed Discontinuous Galerkin (rDG) method, based on orthogonal basis/test functions, is developed for fluid flows on unstructured meshes. Orthogonality of basis functions is essential for enabling robust and efficient fully-implicit Newton-Krylov based time integration. The method is designed for generic partial differential equations, including transient, hyperbolic, parabolic or elliptic operators, which are attributed to many multiphysics problems. We demonstrate the method's capabilities for solving compressible fluid-solid systems (in the low Mach number limit), with phase change (melting/solidification), as motivated by applications in Additive Manufacturing. We focus on the method's accuracy (in both space and time), as well as robustness and solvability of the system of linear equations involved in the linearization steps of Newton-based methods. The performance of the developed method is investigated for highly-stiff problems with melting/solidification, emphasizing the advantages from tight coupling of mass, momentum and energy conservation equations, as well as orthogonality of basis functions, which leads to better conditioning of the underlying (approximate) Jacobian matrices, and rapid convergence of the Krylov-based linear solver. This work was performed under the auspices of the U.S. Department of Energy by Lawrence Livermore National Laboratory under Contract DE-AC52-07NA27344, and funded by the LDRD at LLNL under project tracking code 13-SI-002.

Fully Implicit, Nonlinear 3D Extended Magnetohydrodynamics

NASA Astrophysics Data System (ADS)

Chacon, Luis; Knoll, Dana

2003-10-01

Extended magnetohydrodynamics (XMHD) includes nonideal effects such as nonlinear, anisotropic transport and two-fluid (Hall) effects. XMHD supports multiple, separate time scales that make explicit time differencing approaches extremely inefficient. While a fully implicit implementation promises efficiency without sacrificing numerical accuracy,(D. A. Knoll et al., phJ. Comput. Phys.) 185 (2), 583-611 (2003) the nonlinear nature of the XMHD system and the numerical stiffness associated with the fast waves make this endeavor difficult. Newton-Krylov methods are, however, ideally suited for such a task. These synergistically combine Newton's method for nonlinear convergence, and Krylov techniques to solve the associated Jacobian (linear) systems. Krylov methods can be implemented Jacobian-free and can be preconditioned for efficiency. Successful preconditioning strategies have been developed for 2D incompressible resistive(L. Chacón et al., phJ. Comput. Phys). 178 (1), 15- 36 (2002) and Hall(L. Chacón and D. A. Knoll, phJ. Comput. Phys.), 188 (2), 573-592 (2003) MHD models. These are based on ``physics-based'' ideas, in which knowledge of the physics is exploited to derive well-conditioned (diagonally-dominant) approximations to the original system that are amenable to optimal solver technologies (multigrid). In this work, we will describe the status of the extension of the 2D preconditioning ideas for a 3D compressible, single-fluid XMHD model.

Discrete Diffusion Monte Carlo for Electron Thermal Transport

NASA Astrophysics Data System (ADS)

Chenhall, Jeffrey; Cao, Duc; Wollaeger, Ryan; Moses, Gregory

2014-10-01

The iSNB (implicit Schurtz Nicolai Busquet electron thermal transport method of Cao et al. is adapted to a Discrete Diffusion Monte Carlo (DDMC) solution method for eventual inclusion in a hybrid IMC-DDMC (Implicit Monte Carlo) method. The hybrid method will combine the efficiency of a diffusion method in short mean free path regions with the accuracy of a transport method in long mean free path regions. The Monte Carlo nature of the approach allows the algorithm to be massively parallelized. Work to date on the iSNB-DDMC method will be presented. This work was supported by Sandia National Laboratory - Albuquerque.

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.

Solidification of a binary mixture

NASA Technical Reports Server (NTRS)

Antar, B. N.

1982-01-01

The time dependent concentration and temperature profiles of a finite layer of a binary mixture are investigated during solidification. The coupled time dependent Stefan problem is solved numerically using an implicit finite differencing algorithm with the method of lines. Specifically, the temporal operator is approximated via an implicit finite difference operator resulting in a coupled set of ordinary differential equations for the spatial distribution of the temperature and concentration for each time. Since the resulting differential equations set form a boundary value problem with matching conditions at an unknown spatial point, the method of invariant imbedding is used for its solution.

A diagonal implicit scheme for computing flows with finite-rate chemistry

NASA Technical Reports Server (NTRS)

Eberhardt, Scott; Imlay, Scott

1990-01-01

A new algorithm for solving steady, finite-rate chemistry, flow problems is presented. The new scheme eliminates the expense of inverting large block matrices that arise when species conservation equations are introduced. The source Jacobian matrix is replaced by a diagonal matrix which is tailored to account for the fastest reactions in the chemical system. A point-implicit procedure is discussed and then the algorithm is included into the LU-SGS scheme. Solutions are presented for hypervelocity reentry and Hydrogen-Oxygen combustion. For the LU-SGS scheme a CFL number in excess of 10,000 has been achieved.

Viscous-shock-layer solutions for turbulent flow of radiating gas mixtures in chemical equilibrium

NASA Technical Reports Server (NTRS)

Anderson, E. C.; Moss, J. N.

1975-01-01

The viscous-shock-layer equations for hypersonic laminar and turbulent flows of radiating or nonradiating gas mixtures in chemical equilibrium are presented for two-dimensional and axially-symmetric flow fields. Solutions were obtained using an implicit finite-difference scheme and results are presented for hypersonic flow over spherically-blunted cone configurations at freestream conditions representative of entry into the atmosphere of Venus. These data are compared with solutions obtained using other methods of analysis.

Viscous shock layer solutions for turbulent flow of radiating gas mixtures in chemical equilibrium

NASA Technical Reports Server (NTRS)

Anderson, E. C.; Moss, J. N.

1975-01-01

The viscous shock layer equations for hypersonic laminar and turbulent flows of radiating or nonradiating gas mixtures in chemical equilibrium are presented for two-dimensional and axially symmetric flow fields. Solutions are obtained using an implicit finite difference scheme and results are presented for hypersonic flow over spherically blunted cone configurations at free stream conditions representative of entry into the atmosphere of Venus. These data are compared with solutions obtained using other methods of analysis.

Numerical solution of a coupled pair of elliptic equations from solid state electronics

NASA Technical Reports Server (NTRS)

Phillips, T. N.

1983-01-01

Iterative methods are considered for the solution of a coupled pair of second order elliptic partial differential equations which arise in the field of solid state electronics. A finite difference scheme is used which retains the conservative form of the differential equations. Numerical solutions are obtained in two ways, by multigrid and dynamic alternating direction implicit methods. Numerical results are presented which show the multigrid method to be an efficient way of solving this problem.

Iterative spectral methods and spectral solutions to compressible flows

NASA Technical Reports Server (NTRS)

Hussaini, M. Y.; Zang, T. A.

1982-01-01

A spectral multigrid scheme is described which can solve pseudospectral discretizations of self-adjoint elliptic problems in O(N log N) operations. An iterative technique for efficiently implementing semi-implicit time-stepping for pseudospectral discretizations of Navier-Stokes equations is discussed. This approach can handle variable coefficient terms in an effective manner. Pseudospectral solutions of compressible flow problems are presented. These include one dimensional problems and two dimensional Euler solutions. Results are given both for shock-capturing approaches and for shock-fitting ones.

Newton-like methods for Navier-Stokes solution

NASA Astrophysics Data System (ADS)

Qin, N.; Xu, X.; Richards, B. E.

1992-12-01

The paper reports on Newton-like methods called SFDN-alpha-GMRES and SQN-alpha-GMRES methods that have been devised and proven as powerful schemes for large nonlinear problems typical of viscous compressible Navier-Stokes solutions. They can be applied using a partially converged solution from a conventional explicit or approximate implicit method. Developments have included the efficient parallelization of the schemes on a distributed memory parallel computer. The methods are illustrated using a RISC workstation and a transputer parallel system respectively to solve a hypersonic vortical flow.

Real gas flow fields about three dimensional configurations

NASA Technical Reports Server (NTRS)

Balakrishnan, A.; Lombard, C. K.; Davy, W. C.

1983-01-01

Real gas, inviscid supersonic flow fields over a three-dimensional configuration are determined using a factored implicit algorithm. Air in chemical equilibrium is considered and its local thermodynamic properties are computed by an equilibrium composition method. Numerical solutions are presented for both real and ideal gases at three different Mach numbers and at two different altitudes. Selected results are illustrated by contour plots and are also tabulated for future reference. Results obtained compare well with existing tabulated numerical solutions and hence validate the solution technique.

Staggered solution procedures for multibody dynamics simulation

NASA Technical Reports Server (NTRS)

Park, K. C.; Chiou, J. C.; Downer, J. D.

1990-01-01

The numerical solution procedure for multibody dynamics (MBD) systems is termed a staggered MBD solution procedure that solves the generalized coordinates in a separate module from that for the constraint force. This requires a reformulation of the constraint conditions so that the constraint forces can also be integrated in time. A major advantage of such a partitioned solution procedure is that additional analysis capabilities such as active controller and design optimization modules can be easily interfaced without embedding them into a monolithic program. After introducing the basic equations of motion for MBD system in the second section, Section 3 briefly reviews some constraint handling techniques and introduces the staggered stabilized technique for the solution of the constraint forces as independent variables. The numerical direct time integration of the equations of motion is described in Section 4. As accurate damping treatment is important for the dynamics of space structures, we have employed the central difference method and the mid-point form of the trapezoidal rule since they engender no numerical damping. This is in contrast to the current practice in dynamic simulations of ground vehicles by employing a set of backward difference formulas. First, the equations of motion are partitioned according to the translational and the rotational coordinates. This sets the stage for an efficient treatment of the rotational motions via the singularity-free Euler parameters. The resulting partitioned equations of motion are then integrated via a two-stage explicit stabilized algorithm for updating both the translational coordinates and angular velocities. Once the angular velocities are obtained, the angular orientations are updated via the mid-point implicit formula employing the Euler parameters. When the two algorithms, namely, the two-stage explicit algorithm for the generalized coordinates and the implicit staggered procedure for the constraint Lagrange multipliers, are brought together in a staggered manner, they constitute a staggered explicit-implicit procedure which is summarized in Section 5. Section 6 presents some example problems and discussions concerning several salient features of the staggered MBD solution procedure are offered in Section 7.

Predicting hydration free energies with a hybrid QM/MM approach

PubMed Central

König, Gerhard; Pickard, Frank C.; Mei, Ye; Brooks, Bernard R.

2014-01-01

The correct representation of solute-water interactions is essential for the accurate simulation of most biological phenomena. Several highly accurate quantum methods are available to deal with solvation by using both implicit and explicit solvents. So far, however, most evaluations of those methods were based on a single conformation, which neglects solute entropy. Here, we present the first test of a novel approach to determine hydration free energies that uses molecular mechanics (MM) to sample phase space and quantum mechanics (QM) to evaluate the potential energies. Free energies are determined by using re-weighting with the Non-Boltzmann Bennett (NBB) method. In this context, the method is referred to as QM-NBB. Based on snapshots from MM sampling and accounting for their correct Boltzmann weight, it is possible to obtain hydration free energies that incorporate the effect of solute entropy. We evaluate the performance of several QM implicit solvent models, as well as explicit solvent QM/MM for the blind subset of the SAMPL4 hydration free energy challenge. While classical free energy simulations with molecular dynamics give root mean square deviations (RMSD) of 2.8 and 2.3 kcal/mol, the hybrid approach yields an improved RMSD of 1.6 kcal/mol. By selecting an appropriate functional and basis set, the RMSD can be reduced to 1 kcal/mol for calculations based on a single conformation. Results for a selected set of challenging molecules imply that this RMSD can be further reduced by using NBB to reweight MM trajectories with the SMD implicit solvent model. PMID:24504703

HEATING 7. 1 user's manual

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

Childs, K.W.

1991-07-01

HEATING is a FORTRAN program designed to solve steady-state and/or transient heat conduction problems in one-, two-, or three- dimensional Cartesian, cylindrical, or spherical coordinates. A model may include multiple materials, and the thermal conductivity, density, and specific heat of each material may be both time- and temperature-dependent. The thermal conductivity may be anisotropic. Materials may undergo change of phase. Thermal properties of materials may be input or may be extracted from a material properties library. Heating generation rates may be dependent on time, temperature, and position, and boundary temperatures may be time- and position-dependent. The boundary conditions, which maymore » be surface-to-boundary or surface-to-surface, may be specified temperatures or any combination of prescribed heat flux, forced convection, natural convection, and radiation. The boundary condition parameters may be time- and/or temperature-dependent. General graybody radiation problems may be modeled with user-defined factors for radiant exchange. The mesh spacing may be variable along each axis. HEATING is variably dimensioned and utilizes free-form input. Three steady-state solution techniques are available: point-successive-overrelaxation iterative method with extrapolation, direct-solution (for one-dimensional or two-dimensional problems), and conjugate gradient. Transient problems may be solved using one of several finite-difference schemes: Crank-Nicolson implicit, Classical Implicit Procedure (CIP), Classical Explicit Procedure (CEP), or Levy explicit method (which for some circumstances allows a time step greater than the CEP stability criterion). The solution of the system of equations arising from the implicit techniques is accomplished by point-successive-overrelaxation iteration and includes procedures to estimate the optimum acceleration parameter.« less

Multigrid Strategies for Viscous Flow Solvers on Anisotropic Unstructured Meshes

NASA Technical Reports Server (NTRS)

Movriplis, Dimitri J.

1998-01-01

Unstructured multigrid techniques for relieving the stiffness associated with high-Reynolds number viscous flow simulations on extremely stretched grids are investigated. One approach consists of employing a semi-coarsening or directional-coarsening technique, based on the directions of strong coupling within the mesh, in order to construct more optimal coarse grid levels. An alternate approach is developed which employs directional implicit smoothing with regular fully coarsened multigrid levels. The directional implicit smoothing is obtained by constructing implicit lines in the unstructured mesh based on the directions of strong coupling. Both approaches yield large increases in convergence rates over the traditional explicit full-coarsening multigrid algorithm. However, maximum benefits are achieved by combining the two approaches in a coupled manner into a single algorithm. An order of magnitude increase in convergence rate over the traditional explicit full-coarsening algorithm is demonstrated, and convergence rates for high-Reynolds number viscous flows which are independent of the grid aspect ratio are obtained. Further acceleration is provided by incorporating low-Mach-number preconditioning techniques, and a Newton-GMRES strategy which employs the multigrid scheme as a preconditioner. The compounding effects of these various techniques on speed of convergence is documented through several example test cases.

Stabilized linear semi-implicit schemes for the nonlocal Cahn-Hilliard equation

NASA Astrophysics Data System (ADS)

Du, Qiang; Ju, Lili; Li, Xiao; Qiao, Zhonghua

2018-06-01

Comparing with the well-known classic Cahn-Hilliard equation, the nonlocal Cahn-Hilliard equation is equipped with a nonlocal diffusion operator and can describe more practical phenomena for modeling phase transitions of microstructures in materials. On the other hand, it evidently brings more computational costs in numerical simulations, thus efficient and accurate time integration schemes are highly desired. In this paper, we propose two energy-stable linear semi-implicit methods with first and second order temporal accuracies respectively for solving the nonlocal Cahn-Hilliard equation. The temporal discretization is done by using the stabilization technique with the nonlocal diffusion term treated implicitly, while the spatial discretization is carried out by the Fourier collocation method with FFT-based fast implementations. The energy stabilities are rigorously established for both methods in the fully discrete sense. Numerical experiments are conducted for a typical case involving Gaussian kernels. We test the temporal convergence rates of the proposed schemes and make a comparison of the nonlocal phase transition process with the corresponding local one. In addition, long-time simulations of the coarsening dynamics are also performed to predict the power law of the energy decay.

A multi-dimensional, energy- and charge-conserving, nonlinearly implicit, electromagnetic Vlasov–Darwin particle-in-cell algorithm

DOE PAGES

Chen, G.; Chacón, L.

2015-08-11

For decades, the Vlasov–Darwin model has been recognized to be attractive for particle-in-cell (PIC) kinetic plasma simulations in non-radiative electromagnetic regimes, to avoid radiative noise issues and gain computational efficiency. However, the Darwin model results in an elliptic set of field equations that renders conventional explicit time integration unconditionally unstable. We explore a fully implicit PIC algorithm for the Vlasov–Darwin model in multiple dimensions, which overcomes many difficulties of traditional semi-implicit Darwin PIC algorithms. The finite-difference scheme for Darwin field equations and particle equations of motion is space–time-centered, employing particle sub-cycling and orbit-averaging. This algorithm conserves total energy, local charge,more » canonical-momentum in the ignorable direction, and preserves the Coulomb gauge exactly. An asymptotically well-posed fluid preconditioner allows efficient use of large cell sizes, which are determined by accuracy considerations, not stability, and can be orders of magnitude larger than required in a standard explicit electromagnetic PIC simulation. Finally, we demonstrate the accuracy and efficiency properties of the algorithm with various numerical experiments in 2D–3V.« less

Implicit Geometry Meshing for the simulation of Rotary Friction Welding

NASA Astrophysics Data System (ADS)

Schmicker, D.; Persson, P.-O.; Strackeljan, J.

2014-08-01

The simulation of Rotary Friction Welding (RFW) is a challenging task, since it states a coupled problem of phenomena like large plastic deformations, heat flux, contact and friction. In particular the mesh generation and its restoration when using a Lagrangian description of motion is of significant severity. In this regard Implicit Geometry Meshing (IGM) algorithms are promising alternatives to the more conventional explicit methods. Because of the implicit description of the geometry during remeshing, the IGM procedure turns out to be highly robust and generates spatial discretizations of high quality regardless of the complexity of the flash shape and its inclusions. A model for efficient RFW simulation is presented, which is based on a Carreau fluid law, an Augmented Lagrange approach in mapping the incompressible deformations, a penalty contact approach, a fully regularized Coulomb-/fluid friction law and a hybrid time integration strategy. The implementation of the IGM algorithm using 6-node triangular finite elements is described in detail. The techniques are demonstrated on a fairly complex friction welding problem, demonstrating the performance and the potentials of the proposed method. The techniques are general and straight-forward to implement, and offer the potential of successful adoption to a wide range of other engineering problems.

Assessing the validity of subjective reports in the auditory streaming paradigm.

PubMed

Farkas, Dávid; Denham, Susan L; Bendixen, Alexandra; Winkler, István

2016-04-01

While subjective reports provide a direct measure of perception, their validity is not self-evident. Here, the authors tested three possible biasing effects on perceptual reports in the auditory streaming paradigm: errors due to imperfect understanding of the instructions, voluntary perceptual biasing, and susceptibility to implicit expectations. (1) Analysis of the responses to catch trials separately promoting each of the possible percepts allowed the authors to exclude participants who likely have not fully understood the instructions. (2) Explicit biasing instructions led to markedly different behavior than the conventional neutral-instruction condition, suggesting that listeners did not voluntarily bias their perception in a systematic way under the neutral instructions. Comparison with a random response condition further supported this conclusion. (3) No significant relationship was found between social desirability, a scale-based measure of susceptibility to implicit social expectations, and any of the perceptual measures extracted from the subjective reports. This suggests that listeners did not significantly bias their perceptual reports due to possible implicit expectations present in the experimental context. In sum, these results suggest that valid perceptual data can be obtained from subjective reports in the auditory streaming paradigm.

Application of the implicit MacCormack scheme to the PNS equations

NASA Technical Reports Server (NTRS)

Lawrence, S. L.; Tannehill, J. C.; Chaussee, D. S.

1983-01-01

The two-dimensional parabolized Navier-Stokes equations are solved using MacCormack's (1981) implicit finite-difference scheme. It is shown that this method for solving the parabolized Navier-Stokes equations does not require the inversion of block tridiagonal systems of algebraic equations and allows the original explicit scheme to be employed in those regions where implicit treatment is not needed. The finite-difference algorithm is discussed and the computational results for two laminar test cases are presented. Results obtained using this method for the case of a flat plate boundary layer are compared with those obtained using the conventional Beam-Warming scheme, as well as those obtained from a boundary layer code. The computed results for a more severe test of the method, the hypersonic flow past a 15 deg compression corner, are found to compare favorably with experiment and a numerical solution of the complete Navier-Stokes equations.

Extension of a streamwise upwind algorithm to a moving grid system

NASA Technical Reports Server (NTRS)

Obayashi, Shigeru; Goorjian, Peter M.; Guruswamy, Guru P.

1990-01-01

A new streamwise upwind algorithm was derived to compute unsteady flow fields with the use of a moving-grid system. The temporally nonconservative LU-ADI (lower-upper-factored, alternating-direction-implicit) method was applied for time marching computations. A comparison of the temporally nonconservative method with a time-conservative implicit upwind method indicates that the solutions are insensitive to the conservative properties of the implicit solvers when practical time steps are used. Using this new method, computations were made for an oscillating wing at a transonic Mach number. The computed results confirm that the present upwind scheme captures the shock motion better than the central-difference scheme based on the beam-warming algorithm. The new upwind option of the code allows larger time-steps and thus is more efficient, even though it requires slightly more computational time per time step than the central-difference option.

A gradient enhanced plasticity-damage microplane model for concrete

NASA Astrophysics Data System (ADS)

Zreid, Imadeddin; Kaliske, Michael

2018-03-01

Computational modeling of concrete poses two main types of challenges. The first is the mathematical description of local response for such a heterogeneous material under all stress states, and the second is the stability and efficiency of the numerical implementation in finite element codes. The paper at hand presents a comprehensive approach addressing both issues. Adopting the microplane theory, a combined plasticity-damage model is formulated and regularized by an implicit gradient enhancement. The plasticity part introduces a new microplane smooth 3-surface cap yield function, which provides a stable numerical solution within an implicit finite element algorithm. The damage part utilizes a split, which can describe the transition of loading between tension and compression. Regularization of the model by the implicit gradient approach eliminates the mesh sensitivity and numerical instabilities. Identification methods for model parameters are proposed and several numerical examples of plain and reinforced concrete are carried out for illustration.

Computational Aerothermodynamics in Aeroassist Applications

NASA Technical Reports Server (NTRS)

Gnoffo, Peter A.

2001-01-01

Aeroassisted planetary entry uses atmospheric drag to decelerate spacecraft from super-orbital to orbital or suborbital velocities. Numerical simulation of flow fields surrounding these spacecraft during hypersonic atmospheric entry is required to define aerothermal loads. The severe compression in the shock layer in front of the vehicle and subsequent, rapid expansion into the wake are characterized by high temperature, thermo-chemical nonequilibrium processes. Implicit algorithms required for efficient, stable computation of the governing equations involving disparate time scales of convection, diffusion, chemical reactions, and thermal relaxation are discussed. Robust point-implicit strategies are utilized in the initialization phase; less robust but more efficient line-implicit strategies are applied in the endgame. Applications to ballutes (balloon-like decelerators) in the atmospheres of Venus, Mars, Titan, Saturn, and Neptune and a Mars Sample Return Orbiter (MSRO) are featured. Examples are discussed where time-accurate simulation is required to achieve a steady-state solution.

Sierra/Solid Mechanics 4.48 User's Guide.

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

Merewether, Mark Thomas; Crane, Nathan K; de Frias, Gabriel Jose

Sierra/SolidMechanics (Sierra/SM) is a Lagrangian, three-dimensional code for finite element analysis of solids and structures. It provides capabilities for explicit dynamic, implicit quasistatic and dynamic analyses. The explicit dynamics capabilities allow for the efficient and robust solution of models with extensive contact subjected to large, suddenly applied loads. For implicit problems, Sierra/SM uses a multi-level iterative solver, which enables it to effectively solve problems with large deformations, nonlinear material behavior, and contact. Sierra/SM has a versatile library of continuum and structural elements, and a large library of material models. The code is written for parallel computing environments enabling scalable solutionsmore » of extremely large problems for both implicit and explicit analyses. It is built on the SIERRA Framework, which facilitates coupling with other SIERRA mechanics codes. This document describes the functionality and input syntax for Sierra/SM.« less

Efficient parallel implicit methods for rotary-wing aerodynamics calculations

NASA Astrophysics Data System (ADS)

Wissink, Andrew M.

Euler/Navier-Stokes Computational Fluid Dynamics (CFD) methods are commonly used for prediction of the aerodynamics and aeroacoustics of modern rotary-wing aircraft. However, their widespread application to large complex problems is limited lack of adequate computing power. Parallel processing offers the potential for dramatic increases in computing power, but most conventional implicit solution methods are inefficient in parallel and new techniques must be adopted to realize its potential. This work proposes alternative implicit schemes for Euler/Navier-Stokes rotary-wing calculations which are robust and efficient in parallel. The first part of this work proposes an efficient parallelizable modification of the Lower Upper-Symmetric Gauss Seidel (LU-SGS) implicit operator used in the well-known Transonic Unsteady Rotor Navier Stokes (TURNS) code. The new hybrid LU-SGS scheme couples a point-relaxation approach of the Data Parallel-Lower Upper Relaxation (DP-LUR) algorithm for inter-processor communication with the Symmetric Gauss Seidel algorithm of LU-SGS for on-processor computations. With the modified operator, TURNS is implemented in parallel using Message Passing Interface (MPI) for communication. Numerical performance and parallel efficiency are evaluated on the IBM SP2 and Thinking Machines CM-5 multi-processors for a variety of steady-state and unsteady test cases. The hybrid LU-SGS scheme maintains the numerical performance of the original LU-SGS algorithm in all cases and shows a good degree of parallel efficiency. It experiences a higher degree of robustness than DP-LUR for third-order upwind solutions. The second part of this work examines use of Krylov subspace iterative solvers for the nonlinear CFD solutions. The hybrid LU-SGS scheme is used as a parallelizable preconditioner. Two iterative methods are tested, Generalized Minimum Residual (GMRES) and Orthogonal s-Step Generalized Conjugate Residual (OSGCR). The Newton method demonstrates good parallel performance on the IBM SP2, with OS-GCR giving slightly better performance than GMRES on large numbers of processors. For steady and quasi-steady calculations, the convergence rate is accelerated but the overall solution time remains about the same as the standard hybrid LU-SGS scheme. For unsteady calculations, however, the Newton method maintains a higher degree of time-accuracy which allows tbe use of larger timesteps and results in CPU savings of 20-35%.

Visuomotor Map Determines How Visually Guided Reaching Movements are Corrected Within and Across Trials123

PubMed Central

Hirashima, Masaya

2016-01-01

Abstract When a visually guided reaching movement is unexpectedly perturbed, it is implicitly corrected in two ways: immediately after the perturbation by feedback control (online correction) and in the next movement by adjusting feedforward motor commands (offline correction or motor adaptation). Although recent studies have revealed a close relationship between feedback and feedforward controls, the nature of this relationship is not yet fully understood. Here, we show that both implicit online and offline movement corrections utilize the same visuomotor map for feedforward movement control that transforms the spatial location of visual objects into appropriate motor commands. First, we artificially distorted the visuomotor map by applying opposite visual rotations to the cursor representing the hand position while human participants reached for two different targets. This procedure implicitly altered the visuomotor map so that changes in the movement direction to the target location were more insensitive or more sensitive. Then, we examined how such visuomotor map distortion influenced online movement correction by suddenly changing the target location. The magnitude of online movement correction was altered according to the shape of the visuomotor map. We also examined offline movement correction; the aftereffect induced by visual rotation in the previous trial was modulated according to the shape of the visuomotor map. These results highlighted the importance of the visuomotor map as a foundation for implicit motor control mechanisms and the intimate relationship between feedforward control, feedback control, and motor adaptation. PMID:27275006

Visuomotor Map Determines How Visually Guided Reaching Movements are Corrected Within and Across Trials.

PubMed

Hayashi, Takuji; Yokoi, Atsushi; Hirashima, Masaya; Nozaki, Daichi

2016-01-01

When a visually guided reaching movement is unexpectedly perturbed, it is implicitly corrected in two ways: immediately after the perturbation by feedback control (online correction) and in the next movement by adjusting feedforward motor commands (offline correction or motor adaptation). Although recent studies have revealed a close relationship between feedback and feedforward controls, the nature of this relationship is not yet fully understood. Here, we show that both implicit online and offline movement corrections utilize the same visuomotor map for feedforward movement control that transforms the spatial location of visual objects into appropriate motor commands. First, we artificially distorted the visuomotor map by applying opposite visual rotations to the cursor representing the hand position while human participants reached for two different targets. This procedure implicitly altered the visuomotor map so that changes in the movement direction to the target location were more insensitive or more sensitive. Then, we examined how such visuomotor map distortion influenced online movement correction by suddenly changing the target location. The magnitude of online movement correction was altered according to the shape of the visuomotor map. We also examined offline movement correction; the aftereffect induced by visual rotation in the previous trial was modulated according to the shape of the visuomotor map. These results highlighted the importance of the visuomotor map as a foundation for implicit motor control mechanisms and the intimate relationship between feedforward control, feedback control, and motor adaptation.

Stability analysis of Eulerian-Lagrangian methods for the one-dimensional shallow-water equations

USGS Publications Warehouse

Casulli, V.; Cheng, R.T.

1990-01-01

In this paper stability and error analyses are discussed for some finite difference methods when applied to the one-dimensional shallow-water equations. Two finite difference formulations, which are based on a combined Eulerian-Lagrangian approach, are discussed. In the first part of this paper the results of numerical analyses for an explicit Eulerian-Lagrangian method (ELM) have shown that the method is unconditionally stable. This method, which is a generalized fixed grid method of characteristics, covers the Courant-Isaacson-Rees method as a special case. Some artificial viscosity is introduced by this scheme. However, because the method is unconditionally stable, the artificial viscosity can be brought under control either by reducing the spatial increment or by increasing the size of time step. The second part of the paper discusses a class of semi-implicit finite difference methods for the one-dimensional shallow-water equations. This method, when the Eulerian-Lagrangian approach is used for the convective terms, is also unconditionally stable and highly accurate for small space increments or large time steps. The semi-implicit methods seem to be more computationally efficient than the explicit ELM; at each time step a single tridiagonal system of linear equations is solved. The combined explicit and implicit ELM is best used in formulating a solution strategy for solving a network of interconnected channels. The explicit ELM is used at channel junctions for each time step. The semi-implicit method is then applied to the interior points in each channel segment. Following this solution strategy, the channel network problem can be reduced to a set of independent one-dimensional open-channel flow problems. Numerical results support properties given by the stability and error analyses. ?? 1990.

Global fully kinetic models of planetary magnetospheres with iPic3D

NASA Astrophysics Data System (ADS)

Gonzalez, D.; Sanna, L.; Amaya, J.; Zitz, A.; Lembege, B.; Markidis, S.; Schriver, D.; Walker, R. J.; Berchem, J.; Peng, I. B.; Travnicek, P. M.; Lapenta, G.

2016-12-01

We report on the latest developments of our approach to model planetary magnetospheres, mini magnetospheres and the Earth's magnetosphere with the fully kinetic, electromagnetic particle in cell code iPic3D. The code treats electrons and multiple species of ions as full kinetic particles. We review: 1) Why a fully kinetic model and in particular why kinetic electrons are needed for capturing some of the most important aspects of the physics processes of planetary magnetospheres. 2) Why the energy conserving implicit method (ECIM) in its newest implementation [1] is the right approach to reach this goal. We consider the different electron scales and study how the new IECIM can be tuned to resolve only the electron scales of interest while averaging over the unresolved scales preserving their contribution to the evolution. 3) How with modern computing planetary magnetospheres, mini magnetosphere and eventually Earth's magnetosphere can be modeled with fully kinetic electrons. The path from petascale to exascale for iPiC3D is outlined based on the DEEP-ER project [2], using dynamic allocation of different processor architectures (Xeon and Xeon Phi) and innovative I/O technologies.Specifically results from models of Mercury are presented and compared with MESSENGER observations and with previous hybrid (fluid electrons and kinetic ions) simulations. The plasma convection around the planets includes the development of hydrodynamic instabilities at the flanks, the presence of the collisionless shocks, the magnetosheath, the magnetopause, reconnection zones, the formation of the plasma sheet and the magnetotail, and the variation of ion/electron plasma flows when crossing these frontiers. Given the full kinetic nature of our approach we focus on detailed particle dynamics and distribution at locations that can be used for comparison with satellite data. [1] Lapenta, G. (2016). Exactly Energy Conserving Implicit Moment Particle in Cell Formulation. arXiv preprint arXiv:1602.06326.[2] www.deep-er.eu

Breeding novel solutions in the brain: a model of Darwinian neurodynamics.

PubMed

Szilágyi, András; Zachar, István; Fedor, Anna; de Vladar, Harold P; Szathmáry, Eörs

2016-01-01

Background : The fact that surplus connections and neurons are pruned during development is well established. We complement this selectionist picture by a proof-of-principle model of evolutionary search in the brain, that accounts for new variations in theory space. We present a model for Darwinian evolutionary search for candidate solutions in the brain. Methods : We combine known components of the brain - recurrent neural networks (acting as attractors), the action selection loop and implicit working memory - to provide the appropriate Darwinian architecture. We employ a population of attractor networks with palimpsest memory. The action selection loop is employed with winners-share-all dynamics to select for candidate solutions that are transiently stored in implicit working memory. Results : We document two processes: selection of stored solutions and evolutionary search for novel solutions. During the replication of candidate solutions attractor networks occasionally produce recombinant patterns, increasing variation on which selection can act. Combinatorial search acts on multiplying units (activity patterns) with hereditary variation and novel variants appear due to (i) noisy recall of patterns from the attractor networks, (ii) noise during transmission of candidate solutions as messages between networks, and, (iii) spontaneously generated, untrained patterns in spurious attractors. Conclusions : Attractor dynamics of recurrent neural networks can be used to model Darwinian search. The proposed architecture can be used for fast search among stored solutions (by selection) and for evolutionary search when novel candidate solutions are generated in successive iterations. Since all the suggested components are present in advanced nervous systems, we hypothesize that the brain could implement a truly evolutionary combinatorial search system, capable of generating novel variants.

High-Order Hyperbolic Residual-Distribution Schemes on Arbitrary Triangular Grids

DTIC Science & Technology

2015-06-22

Galerkin methodology formulated in the framework of the residual-distribution method. For both second- and third- 1. REPORT DATE (DD-MM-YYYY) 4. TITLE AND...construct these schemes based on the Low-Diffusion-A and the Streamwise-Upwind-Petrov-Galerkin methodology formulated in the framework of the residual...methodology formulated in the framework of the residual-distribution method. For both second- and third-order-schemes, we construct a fully implicit

The Thistle Field - Analysis of its past performance and optimisation of its future development

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

Bayat, M.G.; Tehrani, D.H.

1985-01-01

The Thistle Field geology and its reservoir performance over the past six years have been reviewed. The latest reservoir simulation study of the field, covering the performance history-matching, and the conclusions of various prediction cases are reported. The special features of PORES, Britoil in-house 3D 3-phase fully implicit numerical simulator and its modeling aids as applied to the Thistle Field are presented.

Iterative Methods for Solving Nonlinear Parabolic Problem in Pension Saving Management

NASA Astrophysics Data System (ADS)

Koleva, M. N.

2011-11-01

In this work we consider a nonlinear parabolic equation, obtained from Riccati like transformation of the Hamilton-Jacobi-Bellman equation, arising in pension saving management. We discuss two numerical iterative methods for solving the model problem—fully implicit Picard method and mixed Picard-Newton method, which preserves the parabolic characteristics of the differential problem. Numerical experiments for comparison the accuracy and effectiveness of the algorithms are discussed. Finally, observations are given.

Accelerating Molecular Dynamic Simulation on Graphics Processing Units

PubMed Central

Friedrichs, Mark S.; Eastman, Peter; Vaidyanathan, Vishal; Houston, Mike; Legrand, Scott; Beberg, Adam L.; Ensign, Daniel L.; Bruns, Christopher M.; Pande, Vijay S.

2009-01-01

We describe a complete implementation of all-atom protein molecular dynamics running entirely on a graphics processing unit (GPU), including all standard force field terms, integration, constraints, and implicit solvent. We discuss the design of our algorithms and important optimizations needed to fully take advantage of a GPU. We evaluate its performance, and show that it can be more than 700 times faster than a conventional implementation running on a single CPU core. PMID:19191337

Navier-Stokes simulation of plume/Vertical Launching System interaction flowfields

NASA Astrophysics Data System (ADS)

York, B. J.; Sinha, N.; Dash, S. M.; Anderson, L.; Gominho, L.

1992-01-01

The application of Navier-Stokes methodology to the analysis of Vertical Launching System/missile exhaust plume interactions is discussed. The complex 3D flowfields related to the Vertical Launching System are computed utilizing the PARCH/RNP Navier-Stokes code. PARCH/RNP solves the fully-coupled system of fluid, two-equation turbulence (k-epsilon) and chemical species equations via the implicit, approximately factored, Beam-Warming algorithm utilizing a block-tridiagonal inversion procedure.

Radiation Diffusion:. AN Overview of Physical and Numerical Concepts

NASA Astrophysics Data System (ADS)

Graziani, Frank

2005-12-01

An overview of the physical and mathematical foundations of radiation transport is given. Emphasis is placed on how the diffusion approximation and its transport corrections arise. An overview of the numerical handling of radiation diffusion coupled to matter is also given. Discussions center on partial temperature and grey methods with comments concerning fully implicit methods. In addition finite difference, finite element and Pert representations of the div-grad operator is also discussed

Oscillations and stability of numerical solutions of the heat conduction equation

NASA Technical Reports Server (NTRS)

Kozdoba, L. A.; Levi, E. V.

1976-01-01

The mathematical model and results of numerical solutions are given for the one dimensional problem when the linear equations are written in a rectangular coordinate system. All the computations are easily realizable for two and three dimensional problems when the equations are written in any coordinate system. Explicit and implicit schemes are shown in tabular form for stability and oscillations criteria; the initial temperature distribution is considered uniform.

Structure and Dynamics of Solvated Polymers near a Silica Surface: On the Different Roles Played by Solvent.

PubMed

Perrin, Elsa; Schoen, Martin; Coudert, François-Xavier; Boutin, Anne

2018-04-26

Whereas it is experimentally known that the inclusion of nanoparticles in hydrogels can lead to a mechanical reinforcement, a detailed molecular understanding of the adhesion mechanism is still lacking. Here we use coarse-grained molecular dynamics simulations to investigate the nature of the interface between silica surfaces and solvated polymers. We show how differences in the nature of the polymer and the polymer-solvent interactions can lead to drastically different behavior of the polymer-surface adhesion. Comparing explicit and implicit solvent models, we conclude that this effect cannot be fully described in an implicit solvent. We highlight the crucial role of polymer solvation for the adsorption of the polymer chain on the silica surface, the significant dynamics of polymer chains on the surface, and details of the modifications in the structure solvated polymer close to the interface.

Implementation of a kappa-epsilon turbulence model to RPLUS3D code

NASA Technical Reports Server (NTRS)

Chitsomboon, Tawit

1992-01-01

The RPLUS3D code has been developed at the NASA Lewis Research Center to support the National Aerospace Plane (NASP) project. The code has the ability to solve three dimensional flowfields with finite rate combustion of hydrogen and air. The combustion process of the hydrogen-air system are simulated by an 18 reaction path, 8 species chemical kinetic mechanism. The code uses a Lower-Upper (LU) decomposition numerical algorithm as its basis, making it a very efficient and robust code. Except for the Jacobian matrix for the implicit chemistry source terms, there is no inversion of a matrix even though a fully implicit numerical algorithm is used. A k-epsilon turbulence model has recently been incorporated into the code. Initial validations have been conducted for a flow over a flat plate. Results of the validation studies are shown. Some difficulties in implementing the k-epsilon equations to the code are also discussed.

Implementation of a kappa-epsilon turbulence model to RPLUS3D code

NASA Astrophysics Data System (ADS)

Chitsomboon, Tawit

1992-02-01

The RPLUS3D code has been developed at the NASA Lewis Research Center to support the National Aerospace Plane (NASP) project. The code has the ability to solve three dimensional flowfields with finite rate combustion of hydrogen and air. The combustion process of the hydrogen-air system are simulated by an 18 reaction path, 8 species chemical kinetic mechanism. The code uses a Lower-Upper (LU) decomposition numerical algorithm as its basis, making it a very efficient and robust code. Except for the Jacobian matrix for the implicit chemistry source terms, there is no inversion of a matrix even though a fully implicit numerical algorithm is used. A k-epsilon turbulence model has recently been incorporated into the code. Initial validations have been conducted for a flow over a flat plate. Results of the validation studies are shown. Some difficulties in implementing the k-epsilon equations to the code are also discussed.

Implicit flux-split schemes for the Euler equations

NASA Technical Reports Server (NTRS)

Thomas, J. L.; Walters, R. W.; Van Leer, B.

1985-01-01

Recent progress in the development of implicit algorithms for the Euler equations using the flux-vector splitting method is described. Comparisons of the relative efficiency of relaxation and spatially-split approximately factored methods on a vector processor for two-dimensional flows are made. For transonic flows, the higher convergence rate per iteration of the Gauss-Seidel relaxation algorithms, which are only partially vectorizable, is amply compensated for by the faster computational rate per iteration of the approximately factored algorithm. For supersonic flows, the fully-upwind line-relaxation method is more efficient since the numerical domain of dependence is more closely matched to the physical domain of dependence. A hybrid three-dimensional algorithm using relaxation in one coordinate direction and approximate factorization in the cross-flow plane is developed and applied to a forebody shape at supersonic speeds and a swept, tapered wing at transonic speeds.

Marginally perceptible outcome feedback, motor learning and implicit processes.

PubMed

Masters, Rich S W; Maxwell, Jon P; Eves, Frank F

2009-09-01

Participants struck 500 golf balls to a concealed target. Outcome feedback was presented at the subjective or objective threshold of awareness of each participant or at a supraliminal threshold. Participants who received fully perceptible (supraliminal) feedback learned to strike the ball onto the target, as did participants who received feedback that was only marginally perceptible (subjective threshold). Participants who received feedback that was not perceptible (objective threshold) showed no learning. Upon transfer to a condition in which the target was unconcealed, performance increased in both the subjective and the objective threshold condition, but decreased in the supraliminal condition. In all three conditions, participants reported minimal declarative knowledge of their movements, suggesting that deliberate hypothesis testing about how best to move in order to perform the motor task successfully was disrupted by the impoverished disposition of the visual outcome feedback. It was concluded that sub-optimally perceptible visual feedback evokes implicit processes.

The iterative thermal emission method: A more implicit modification of IMC

NASA Astrophysics Data System (ADS)

Long, A. R.; Gentile, N. A.; Palmer, T. S.

2014-11-01

For over 40 years, the Implicit Monte Carlo (IMC) method has been used to solve challenging problems in thermal radiative transfer. These problems typically contain regions that are optically thick and diffusive, as a consequence of the high degree of ;pseudo-scattering; introduced to model the absorption and reemission of photons from a tightly-coupled, radiating material. IMC has several well-known features that could be improved: a) it can be prohibitively computationally expensive, b) it introduces statistical noise into the material and radiation temperatures, which may be problematic in multiphysics simulations, and c) under certain conditions, solutions can be nonphysical, in that they violate a maximum principle, where IMC-calculated temperatures can be greater than the maximum temperature used to drive the problem. We have developed a variant of IMC called iterative thermal emission IMC, which is designed to have a reduced parameter space in which the maximum principle is violated. ITE IMC is a more implicit version of IMC in that it uses the information obtained from a series of IMC photon histories to improve the estimate for the end of time step material temperature during a time step. A better estimate of the end of time step material temperature allows for a more implicit estimate of other temperature-dependent quantities: opacity, heat capacity, Fleck factor (probability that a photon absorbed during a time step is not reemitted) and the Planckian emission source. We have verified the ITE IMC method against 0-D and 1-D analytic solutions and problems from the literature. These results are compared with traditional IMC. We perform an infinite medium stability analysis of ITE IMC and show that it is slightly more numerically stable than traditional IMC. We find that significantly larger time steps can be used with ITE IMC without violating the maximum principle, especially in problems with non-linear material properties. The ITE IMC method does however yield solutions with larger variance because each sub-step uses a different Fleck factor (even at equilibrium).

The cerebellum does more than sensory prediction error-based learning in sensorimotor adaptation tasks.

PubMed

Butcher, Peter A; Ivry, Richard B; Kuo, Sheng-Han; Rydz, David; Krakauer, John W; Taylor, Jordan A

2017-09-01

Individuals with damage to the cerebellum perform poorly in sensorimotor adaptation paradigms. This deficit has been attributed to impairment in sensory prediction error-based updating of an internal forward model, a form of implicit learning. These individuals can, however, successfully counter a perturbation when instructed with an explicit aiming strategy. This successful use of an instructed aiming strategy presents a paradox: In adaptation tasks, why do individuals with cerebellar damage not come up with an aiming solution on their own to compensate for their implicit learning deficit? To explore this question, we employed a variant of a visuomotor rotation task in which, before executing a movement on each trial, the participants verbally reported their intended aiming location. Compared with healthy control participants, participants with spinocerebellar ataxia displayed impairments in both implicit learning and aiming. This was observed when the visuomotor rotation was introduced abruptly ( experiment 1 ) or gradually ( experiment 2 ). This dual deficit does not appear to be related to the increased movement variance associated with ataxia: Healthy undergraduates showed little change in implicit learning or aiming when their movement feedback was artificially manipulated to produce similar levels of variability ( experiment 3 ). Taken together the results indicate that a consequence of cerebellar dysfunction is not only impaired sensory prediction error-based learning but also a difficulty in developing and/or maintaining an aiming solution in response to a visuomotor perturbation. We suggest that this dual deficit can be explained by the cerebellum forming part of a network that learns and maintains action-outcome associations across trials. NEW & NOTEWORTHY Individuals with cerebellar pathology are impaired in sensorimotor adaptation. This deficit has been attributed to an impairment in error-based learning, specifically, from a deficit in using sensory prediction errors to update an internal model. Here we show that these individuals also have difficulty in discovering an aiming solution to overcome their adaptation deficit, suggesting a new role for the cerebellum in sensorimotor adaptation tasks. Copyright © 2017 the American Physiological Society.

The iterative thermal emission method: A more implicit modification of IMC

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

Long, A.R., E-mail: arlong.ne@tamu.edu; Gentile, N.A.; Palmer, T.S.

2014-11-15

For over 40 years, the Implicit Monte Carlo (IMC) method has been used to solve challenging problems in thermal radiative transfer. These problems typically contain regions that are optically thick and diffusive, as a consequence of the high degree of “pseudo-scattering” introduced to model the absorption and reemission of photons from a tightly-coupled, radiating material. IMC has several well-known features that could be improved: a) it can be prohibitively computationally expensive, b) it introduces statistical noise into the material and radiation temperatures, which may be problematic in multiphysics simulations, and c) under certain conditions, solutions can be nonphysical, in thatmore » they violate a maximum principle, where IMC-calculated temperatures can be greater than the maximum temperature used to drive the problem. We have developed a variant of IMC called iterative thermal emission IMC, which is designed to have a reduced parameter space in which the maximum principle is violated. ITE IMC is a more implicit version of IMC in that it uses the information obtained from a series of IMC photon histories to improve the estimate for the end of time step material temperature during a time step. A better estimate of the end of time step material temperature allows for a more implicit estimate of other temperature-dependent quantities: opacity, heat capacity, Fleck factor (probability that a photon absorbed during a time step is not reemitted) and the Planckian emission source. We have verified the ITE IMC method against 0-D and 1-D analytic solutions and problems from the literature. These results are compared with traditional IMC. We perform an infinite medium stability analysis of ITE IMC and show that it is slightly more numerically stable than traditional IMC. We find that significantly larger time steps can be used with ITE IMC without violating the maximum principle, especially in problems with non-linear material properties. The ITE IMC method does however yield solutions with larger variance because each sub-step uses a different Fleck factor (even at equilibrium)« less

An unconditionally stable Runge-Kutta method for unsteady flows

NASA Technical Reports Server (NTRS)

Jorgenson, Philip C. E.; Chima, Rodrick V.

1988-01-01

A quasi-three dimensional analysis was developed for unsteady rotor-stator interaction in turbomachinery. The analysis solves the unsteady Euler or thin-layer Navier-Stokes equations in a body fitted coordinate system. It accounts for the effects of rotation, radius change, and stream surface thickness. The Baldwin-Lomax eddy viscosity model is used for turbulent flows. The equations are integrated in time using a four stage Runge-Kutta scheme with a constant time step. Implicit residual smoothing was employed to accelerate the solution of the time accurate computations. The scheme is described and accuracy analyses are given. Results are shown for a supersonic through-flow fan designed for NASA Lewis. The rotor:stator blade ratio was taken as 1:1. Results are also shown for the first stage of the Space Shuttle Main Engine high pressure fuel turbopump. Here the blade ratio is 2:3. Implicit residual smoothing was used to increase the time step limit of the unsmoothed scheme by a factor of six with negligible differences in the unsteady results. It is felt that the implicitly smoothed Runge-Kutta scheme is easily competitive with implicit schemes for unsteady flows while retaining the simplicity of an explicit scheme.

Numerical experiments with a symmetric high-resolution shock-capturing scheme

NASA Technical Reports Server (NTRS)

Yee, H. C.

1986-01-01

Characteristic-based explicit and implicit total variation diminishing (TVD) schemes for the two-dimensional compressible Euler equations have recently been developed. This is a generalization of recent work of Roe and Davis to a wider class of symmetric (non-upwind) TVD schemes other than Lax-Wendroff. The Roe and Davis schemes can be viewed as a subset of the class of explicit methods. The main properties of the present class of schemes are that they can be implicit, and, when steady-state calculations are sought, the numerical solution is independent of the time step. In a recent paper, a comparison of a linearized form of the present implicit symmetric TVD scheme with an implicit upwind TVD scheme originally developed by Harten and modified by Yee was given. Results favored the symmetric method. It was found that the latter is just as accurate as the upwind method while requiring less computational effort. Currently, more numerical experiments are being conducted on time-accurate calculations and on the effect of grid topology, numerical boundary condition procedures, and different flow conditions on the behavior of the method for steady-state applications. The purpose here is to report experiences with this type of scheme and give guidelines for its use.

ASIS v1.0: an adaptive solver for the simulation of atmospheric chemistry

NASA Astrophysics Data System (ADS)

Cariolle, Daniel; Moinat, Philippe; Teyssèdre, Hubert; Giraud, Luc; Josse, Béatrice; Lefèvre, Franck

2017-04-01

This article reports on the development and tests of the adaptive semi-implicit scheme (ASIS) solver for the simulation of atmospheric chemistry. To solve the ordinary differential equation systems associated with the time evolution of the species concentrations, ASIS adopts a one-step linearized implicit scheme with specific treatments of the Jacobian of the chemical fluxes. It conserves mass and has a time-stepping module to control the accuracy of the numerical solution. In idealized box-model simulations, ASIS gives results similar to the higher-order implicit schemes derived from the Rosenbrock's and Gear's methods and requires less computation and run time at the moderate precision required for atmospheric applications. When implemented in the MOCAGE chemical transport model and the Laboratoire de Météorologie Dynamique Mars general circulation model, the ASIS solver performs well and reveals weaknesses and limitations of the original semi-implicit solvers used by these two models. ASIS can be easily adapted to various chemical schemes and further developments are foreseen to increase its computational efficiency, and to include the computation of the concentrations of the species in aqueous-phase in addition to gas-phase chemistry.

Development and application of the GIM code for the Cyber 203 computer

NASA Technical Reports Server (NTRS)

Stainaker, J. F.; Robinson, M. A.; Rawlinson, E. G.; Anderson, P. G.; Mayne, A. W.; Spradley, L. W.

1982-01-01

The GIM computer code for fluid dynamics research was developed. Enhancement of the computer code, implicit algorithm development, turbulence model implementation, chemistry model development, interactive input module coding and wing/body flowfield computation are described. The GIM quasi-parabolic code development was completed, and the code used to compute a number of example cases. Turbulence models, algebraic and differential equations, were added to the basic viscous code. An equilibrium reacting chemistry model and implicit finite difference scheme were also added. Development was completed on the interactive module for generating the input data for GIM. Solutions for inviscid hypersonic flow over a wing/body configuration are also presented.

A three-dimensional parabolic equation model of sound propagation using higher-order operator splitting and Padé approximants.

PubMed

Lin, Ying-Tsong; Collis, Jon M; Duda, Timothy F

2012-11-01

An alternating direction implicit (ADI) three-dimensional fluid parabolic equation solution method with enhanced accuracy is presented. The method uses a square-root Helmholtz operator splitting algorithm that retains cross-multiplied operator terms that have been previously neglected. With these higher-order cross terms, the valid angular range of the parabolic equation solution is improved. The method is tested for accuracy against an image solution in an idealized wedge problem. Computational efficiency improvements resulting from the ADI discretization are also discussed.

Heating 7.2 user`s manual

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

Childs, K.W.

1993-02-01

HEATING is a general-purpose conduction heat transfer program written in Fortran 77. HEATING can solve steady-state and/or transient heat conduction problems in one-, two-, or three-dimensional Cartesian, cylindrical, or spherical coordinates. A model may include multiple materials, and the thermal conductivity, density, and specific heat of each material may be both time- and temperature-dependent. The thermal conductivity may also be anisotropic. Materials may undergo change of phase. Thermal properties of materials may be input or may be extracted from a material properties library. Heat-generation rates may be dependent on time, temperature, and position, and boundary temperatures may be time- andmore » position-dependent. The boundary conditions, which may be surface-to-environment or surface-to-surface, may be specified temperatures or any combination of prescribed heat flux, forced convection, natural convection, and radiation. The boundary condition parameters may be time- and/or temperature-dependent. General gray-body radiation problems may be modeled with user-defined factors for radiant exchange. The mesh spacing may be variable along each axis. HEATING uses a runtime memory allocation scheme to avoid having to recompile to match memory requirements for each specific problem. HEATING utilizes free-form input. Three steady-state solution techniques are available: point-successive-overrelaxation iterative method with extrapolation, direct-solution, and conjugate gradient. Transient problems may be solved using any one of several finite-difference schemes: Crank-Nicolson implicit, Classical Implicit Procedure (CIP), Classical Explicit Procedure (CEP), or Levy explicit method. The solution of the system of equations arising from the implicit techniques is accomplished by point-successive-overrelaxation iteration and includes procedures to estimate the optimum acceleration parameter.« less

Heating 7. 2 user's manual

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

Childs, K.W.

1993-02-01

HEATING is a general-purpose conduction heat transfer program written in Fortran 77. HEATING can solve steady-state and/or transient heat conduction problems in one-, two-, or three-dimensional Cartesian, cylindrical, or spherical coordinates. A model may include multiple materials, and the thermal conductivity, density, and specific heat of each material may be both time- and temperature-dependent. The thermal conductivity may also be anisotropic. Materials may undergo change of phase. Thermal properties of materials may be input or may be extracted from a material properties library. Heat-generation rates may be dependent on time, temperature, and position, and boundary temperatures may be time- andmore » position-dependent. The boundary conditions, which may be surface-to-environment or surface-to-surface, may be specified temperatures or any combination of prescribed heat flux, forced convection, natural convection, and radiation. The boundary condition parameters may be time- and/or temperature-dependent. General gray-body radiation problems may be modeled with user-defined factors for radiant exchange. The mesh spacing may be variable along each axis. HEATING uses a runtime memory allocation scheme to avoid having to recompile to match memory requirements for each specific problem. HEATING utilizes free-form input. Three steady-state solution techniques are available: point-successive-overrelaxation iterative method with extrapolation, direct-solution, and conjugate gradient. Transient problems may be solved using any one of several finite-difference schemes: Crank-Nicolson implicit, Classical Implicit Procedure (CIP), Classical Explicit Procedure (CEP), or Levy explicit method. The solution of the system of equations arising from the implicit techniques is accomplished by point-successive-overrelaxation iteration and includes procedures to estimate the optimum acceleration parameter.« less

Transonic small disturbances equation applied to the solution of two-dimensional nonsteady flows

NASA Technical Reports Server (NTRS)

Couston, M.; Angelini, J. J.; Mulak, P.

1980-01-01

Transonic nonsteady flows are of large practical interest. Aeroelastic instability prediction, control figured vehicle techniques or rotary wings in forward flight are some examples justifying the effort undertaken to improve knowledge of these problems is described. The numerical solution of these problems under the potential flow hypothesis is described. The use of an alternating direction implicit scheme allows the efficient resolution of the two dimensional transonic small perturbations equation.

Stark problem in terms of the Stokes multipliers for the triconfluent Heun equation

NASA Astrophysics Data System (ADS)

Osherov, V. I.; Ushakov, V. G.

2013-11-01

The solution of the Stark problem is obtained in terms of the Stokes multipliers for the triconfluent Heun equation (the quartic oscillator equation). The Stokes multipliers are found in an analytical form at positive energies. For negative energies, the Stokes parameters are calculated in frames of a consistent asymptotic approach. The scattering phase, positions, and widths of the Stark resonances are determined as solutions of an implicit equation.

Pressure-coupled combustion response model for solid propellants based on Zeldovich-Novozhilov approach

NASA Technical Reports Server (NTRS)

Harstad, K. G.; Strand, L. D.

1987-01-01

An exact analytical solution is given to the problem of long-time propellant thermal response to a specified pressure oscillation. Coupling to the gas phase is made using the quasisteady Zeldovich-Novozhilov approximation. Explicit linear and lowest order (quadratic) nonlinear expressions for propellant response are obtained from the implicit nonlinear solutions. Using these expressions, response curves are presented for an ammonium perchlorate composite propellant and HMX monopropellant.

TAIR: A transonic airfoil analysis computer code

NASA Technical Reports Server (NTRS)

Dougherty, F. C.; Holst, T. L.; Grundy, K. L.; Thomas, S. D.

1981-01-01

The operation of the TAIR (Transonic AIRfoil) computer code, which uses a fast, fully implicit algorithm to solve the conservative full-potential equation for transonic flow fields about arbitrary airfoils, is described on two levels of sophistication: simplified operation and detailed operation. The program organization and theory are elaborated to simplify modification of TAIR for new applications. Examples with input and output are given for a wide range of cases, including incompressible, subcritical compressible, and transonic calculations.

A fully-coupled discontinuous Galerkin spectral element method for two-phase flow in petroleum reservoirs

NASA Astrophysics Data System (ADS)

Taneja, Ankur; Higdon, Jonathan

2018-01-01

A high-order spectral element discontinuous Galerkin method is presented for simulating immiscible two-phase flow in petroleum reservoirs. The governing equations involve a coupled system of strongly nonlinear partial differential equations for the pressure and fluid saturation in the reservoir. A fully implicit method is used with a high-order accurate time integration using an implicit Rosenbrock method. Numerical tests give the first demonstration of high order hp spatial convergence results for multiphase flow in petroleum reservoirs with industry standard relative permeability models. High order convergence is shown formally for spectral elements with up to 8th order polynomials for both homogeneous and heterogeneous permeability fields. Numerical results are presented for multiphase fluid flow in heterogeneous reservoirs with complex geometric or geologic features using up to 11th order polynomials. Robust, stable simulations are presented for heterogeneous geologic features, including globally heterogeneous permeability fields, anisotropic permeability tensors, broad regions of low-permeability, high-permeability channels, thin shale barriers and thin high-permeability fractures. A major result of this paper is the demonstration that the resolution of the high order spectral element method may be exploited to achieve accurate results utilizing a simple cartesian mesh for non-conforming geological features. Eliminating the need to mesh to the boundaries of geological features greatly simplifies the workflow for petroleum engineers testing multiple scenarios in the face of uncertainty in the subsurface geology.

Hybrid Upwinding for Two-Phase Flow in Heterogeneous Porous Media with Buoyancy and Capillarity

NASA Astrophysics Data System (ADS)

Hamon, F. P.; Mallison, B.; Tchelepi, H.

2016-12-01

In subsurface flow simulation, efficient discretization schemes for the partial differential equations governing multiphase flow and transport are critical. For highly heterogeneous porous media, the temporal discretization of choice is often the unconditionally stable fully implicit (backward-Euler) method. In this scheme, the simultaneous update of all the degrees of freedom requires solving large algebraic nonlinear systems at each time step using Newton's method. This is computationally expensive, especially in the presence of strong capillary effects driven by abrupt changes in porosity and permeability between different rock types. Therefore, discretization schemes that reduce the simulation cost by improving the nonlinear convergence rate are highly desirable. To speed up nonlinear convergence, we present an efficient fully implicit finite-volume scheme for immiscible two-phase flow in the presence of strong capillary forces. In this scheme, the discrete viscous, buoyancy, and capillary spatial terms are evaluated separately based on physical considerations. We build on previous work on Implicit Hybrid Upwinding (IHU) by using the upstream saturations with respect to the total velocity to compute the relative permeabilities in the viscous term, and by determining the directionality of the buoyancy term based on the phase density differences. The capillary numerical flux is decomposed into a rock- and geometry-dependent transmissibility factor, a nonlinear capillary diffusion coefficient, and an approximation of the saturation gradient. Combining the viscous, buoyancy, and capillary terms, we obtain a numerical flux that is consistent, bounded, differentiable, and monotone for homogeneous one-dimensional flow. The proposed scheme also accounts for spatially discontinuous capillary pressure functions. Specifically, at the interface between two rock types, the numerical scheme accurately honors the entry pressure condition by solving a local nonlinear problem to compute the numerical flux. Heterogeneous numerical tests demonstrate that this extended IHU scheme is non-oscillatory and convergent upon refinement. They also illustrate the superior accuracy and nonlinear convergence rate of the IHU scheme compared with the standard phase-based upstream weighting approach.

An efficient mixed-precision, hybrid CPU-GPU implementation of a nonlinearly implicit one-dimensional particle-in-cell algorithm

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

Chen, Guangye; Chacon, Luis; Barnes, Daniel C

2012-01-01

Recently, a fully implicit, energy- and charge-conserving particle-in-cell method has been developed for multi-scale, full-f kinetic simulations [G. Chen, et al., J. Comput. Phys. 230, 18 (2011)]. The method employs a Jacobian-free Newton-Krylov (JFNK) solver and is capable of using very large timesteps without loss of numerical stability or accuracy. A fundamental feature of the method is the segregation of particle orbit integrations from the field solver, while remaining fully self-consistent. This provides great flexibility, and dramatically improves the solver efficiency by reducing the degrees of freedom of the associated nonlinear system. However, it requires a particle push per nonlinearmore » residual evaluation, which makes the particle push the most time-consuming operation in the algorithm. This paper describes a very efficient mixed-precision, hybrid CPU-GPU implementation of the implicit PIC algorithm. The JFNK solver is kept on the CPU (in double precision), while the inherent data parallelism of the particle mover is exploited by implementing it in single-precision on a graphics processing unit (GPU) using CUDA. Performance-oriented optimizations, with the aid of an analytical performance model, the roofline model, are employed. Despite being highly dynamic, the adaptive, charge-conserving particle mover algorithm achieves up to 300 400 GOp/s (including single-precision floating-point, integer, and logic operations) on a Nvidia GeForce GTX580, corresponding to 20 25% absolute GPU efficiency (against the peak theoretical performance) and 50-70% intrinsic efficiency (against the algorithm s maximum operational throughput, which neglects all latencies). This is about 200-300 times faster than an equivalent serial CPU implementation. When the single-precision GPU particle mover is combined with a double-precision CPU JFNK field solver, overall performance gains 100 vs. the double-precision CPU-only serial version are obtained, with no apparent loss of robustness or accuracy when applied to a challenging long-time scale ion acoustic wave simulation.« less

Numerical method for predicting flow characteristics and performance of nonaxisymmetric nozzles, theory

NASA Technical Reports Server (NTRS)

Thomas, P. D.

1979-01-01

The theoretical foundation and formulation of a numerical method for predicting the viscous flowfield in and about isolated three dimensional nozzles of geometrically complex configuration are presented. High Reynolds number turbulent flows are of primary interest for any combination of subsonic, transonic, and supersonic flow conditions inside or outside the nozzle. An alternating-direction implicit (ADI) numerical technique is employed to integrate the unsteady Navier-Stokes equations until an asymptotic steady-state solution is reached. Boundary conditions are computed with an implicit technique compatible with the ADI technique employed at interior points of the flow region. The equations are formulated and solved in a boundary-conforming curvilinear coordinate system. The curvilinear coordinate system and computational grid is generated numerically as the solution to an elliptic boundary value problem. A method is developed that automatically adjusts the elliptic system so that the interior grid spacing is controlled directly by the a priori selection of the grid spacing on the boundaries of the flow region.

A multigrid nonoscillatory method for computing high speed flows

NASA Technical Reports Server (NTRS)

Li, C. P.; Shieh, T. H.

1993-01-01

A multigrid method using different smoothers has been developed to solve the Euler equations discretized by a nonoscillatory scheme up to fourth order accuracy. The best smoothing property is provided by a five-stage Runge-Kutta technique with optimized coefficients, yet the most efficient smoother is a backward Euler technique in factored and diagonalized form. The singlegrid solution for a hypersonic, viscous conic flow is in excellent agreement with the solution obtained by the third order MUSCL and Roe's method. Mach 8 inviscid flow computations for a complete entry probe have shown that the accuracy is at least as good as the symmetric TVD scheme of Yee and Harten. The implicit multigrid method is four times more efficient than the explicit multigrid technique and 3.5 times faster than the single-grid implicit technique. For a Mach 8.7 inviscid flow over a blunt delta wing at 30 deg incidence, the CPU reduction factor from the three-level multigrid computation is 2.2 on a grid of 37 x 41 x 73 nodes.

Nonadiabatic dynamics of electron transfer in solution: Explicit and implicit solvent treatments that include multiple relaxation time scales

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

Schwerdtfeger, Christine A.; Soudackov, Alexander V.; Hammes-Schiffer, Sharon, E-mail: shs3@illinois.edu

2014-01-21

The development of efficient theoretical methods for describing electron transfer (ET) reactions in condensed phases is important for a variety of chemical and biological applications. Previously, dynamical dielectric continuum theory was used to derive Langevin equations for a single collective solvent coordinate describing ET in a polar solvent. In this theory, the parameters are directly related to the physical properties of the system and can be determined from experimental data or explicit molecular dynamics simulations. Herein, we combine these Langevin equations with surface hopping nonadiabatic dynamics methods to calculate the rate constants for thermal ET reactions in polar solvents formore » a wide range of electronic couplings and reaction free energies. Comparison of explicit and implicit solvent calculations illustrates that the mapping from explicit to implicit solvent models is valid even for solvents exhibiting complex relaxation behavior with multiple relaxation time scales and a short-time inertial response. The rate constants calculated for implicit solvent models with a single solvent relaxation time scale corresponding to water, acetonitrile, and methanol agree well with analytical theories in the Golden rule and solvent-controlled regimes, as well as in the intermediate regime. The implicit solvent models with two relaxation time scales are in qualitative agreement with the analytical theories but quantitatively overestimate the rate constants compared to these theories. Analysis of these simulations elucidates the importance of multiple relaxation time scales and the inertial component of the solvent response, as well as potential shortcomings of the analytical theories based on single time scale solvent relaxation models. This implicit solvent approach will enable the simulation of a wide range of ET reactions via the stochastic dynamics of a single collective solvent coordinate with parameters that are relevant to experimentally accessible systems.« less

Efficiency and flexibility using implicit methods within atmosphere dycores

NASA Astrophysics Data System (ADS)

Evans, K. J.; Archibald, R.; Norman, M. R.; Gardner, D. J.; Woodward, C. S.; Worley, P.; Taylor, M.

2016-12-01

A suite of explicit and implicit methods are evaluated for a range of configurations of the shallow water dynamical core within the spectral-element Community Atmosphere Model (CAM-SE) to explore their relative computational performance. The configurations are designed to explore the attributes of each method under different but relevant model usage scenarios including varied spectral order within an element, static regional refinement, and scaling to large problem sizes. The limitations and benefits of using explicit versus implicit, with different discretizations and parameters, are discussed in light of trade-offs such as MPI communication, memory, and inherent efficiency bottlenecks. For the regionally refined shallow water configurations, the implicit BDF2 method is about the same efficiency as an explicit Runge-Kutta method, without including a preconditioner. Performance of the implicit methods with the residual function executed on a GPU is also presented; there is speed up for the residual relative to a CPU, but overwhelming transfer costs motivate moving more of the solver to the device. Given the performance behavior of implicit methods within the shallow water dynamical core, the recommendation for future work using implicit solvers is conditional based on scale separation and the stiffness of the problem. The strong growth of linear iterations with increasing resolution or time step size is the main bottleneck to computational efficiency. Within the hydrostatic dynamical core, of CAM-SE, we present results utilizing approximate block factorization preconditioners implemented using the Trilinos library of solvers. They reduce the cost of linear system solves and improve parallel scalability. We provide a summary of the remaining efficiency considerations within the preconditioner and utilization of the GPU, as well as a discussion about the benefits of a time stepping method that provides converged and stable solutions for a much wider range of time step sizes. As more complex model components, for example new physics and aerosols, are connected in the model, having flexibility in the time stepping will enable more options for combining and resolving multiple scales of behavior.

Numerical solution of fractured horizontal wells in shale gas reservoirs considering multiple transport mechanisms

NASA Astrophysics Data System (ADS)

Zhao, Yu-long; Tang, Xu-chuan; Zhang, Lie-hui; Tang, Hong-ming; Tao, Zheng-Wu

2018-06-01

The multiscale pore size and specific gas storage mechanism in organic-rich shale gas reservoirs make gas transport in such reservoirs complicated. Therefore, a model that fully incorporates all transport mechanisms and employs an accurate numerical method is urgently needed to simulate the gas production process. In this paper, a unified model of apparent permeability was first developed, which took into account multiple influential factors including slip flow, Knudsen diffusion (KD), surface diffusion, effects of the adsorbed layer, permeability stress sensitivity, and ad-/desorption phenomena. Subsequently, a comprehensive mathematical model, which included the model of apparent permeability, was derived to describe gas production behaviors. Thereafter, on the basis of unstructured perpendicular bisection grids and finite volume method, a fully implicit numerical simulator was developed using Matlab software. The validation and application of the new model were confirmed using a field case reported in the literature. Finally, the impacts of related influencing factors on gas production were analyzed. The results showed that KD resulted in a negligible impact on gas production in the proposed model. The smaller the pore size was, the more obvious the effects of the adsorbed layer on the well production rate would be. Permeability stress sensitivity had a slight effect on well cumulative production in shale gas reservoirs. Adsorbed gas made a major contribution to the later flow period of the well; the greater the adsorbed gas content, the greater the well production rate would be. This paper can improve the understanding of gas production in shale gas reservoirs for petroleum engineers.

Electro-cortical implicit race bias does not vary with participants’ race or sex

PubMed Central

Mallan, Kimberley M.; Martin, Frances H.; Terry, Deborah J.; Smith, Joanne R.

2011-01-01

Earlier research found evidence for electro-cortical race bias towards black target faces in white American participants irrespective of the task relevance of race. The present study investigated whether an implicit race bias generalizes across cultural contexts and racial in- and out-groups. An Australian sample of 56 Chinese and Caucasian males and females completed four oddball tasks that required sex judgements for pictures of male and female Chinese and Caucasian posers. The nature of the background (across task) and of the deviant stimuli (within task) was fully counterbalanced. Event-related potentials (ERPs) to deviant stimuli recorded from three midline sites were quantified in terms of mean amplitude for four components: N1, P2, N2 and a late positive complex (LPC; 350–700 ms). Deviants that differed from the backgrounds in sex or race elicited enhanced LPC activity. These differences were not modulated by participant race or sex. The current results replicate earlier reports of effects of poser race relative to background race on the LPC component of the ERP waveform. In addition, they indicate that an implicit race bias occurs regardless of participant’s or poser’s race and is not confined to a particular cultural context. PMID:21097957

Numerical study of the flow in a three-dimensional thermally driven cavity

NASA Astrophysics Data System (ADS)

Rauwoens, Pieter; Vierendeels, Jan; Merci, Bart

2008-06-01

Solutions for the fully compressible Navier-Stokes equations are presented for the flow and temperature fields in a cubic cavity with large horizontal temperature differences. The ideal-gas approximation for air is assumed and viscosity is computed using Sutherland's law. The three-dimensional case forms an extension of previous studies performed on a two-dimensional square cavity. The influence of imposed boundary conditions in the third dimension is investigated as a numerical experiment. Comparison is made between convergence rates in case of periodic and free-slip boundary conditions. Results with no-slip boundary conditions are presented as well. The effect of the Rayleigh number is studied. Results are computed using a finite volume method on a structured, collocated grid. An explicit third-order discretization for the convective part and an implicit central discretization for the acoustic part and for the diffusive part are used. To stabilize the scheme an artificial dissipation term for the pressure and the temperature is introduced. The discrete equations are solved using a time-marching method with restrictions on the timestep corresponding to the explicit parts of the solver. Multigrid is used as acceleration technique.

A semi-implicit augmented IIM for Navier–Stokes equations with open, traction, or free boundary conditions

PubMed Central

Li, Zhilin; Xiao, Li; Cai, Qin; Zhao, Hongkai; Luo, Ray

2016-01-01

In this paper, a new Navier–Stokes solver based on a finite difference approximation is proposed to solve incompressible flows on irregular domains with open, traction, and free boundary conditions, which can be applied to simulations of fluid structure interaction, implicit solvent model for biomolecular applications and other free boundary or interface problems. For some problems of this type, the projection method and the augmented immersed interface method (IIM) do not work well or does not work at all. The proposed new Navier–Stokes solver is based on the local pressure boundary method, and a semi-implicit augmented IIM. A fast Poisson solver can be used in our algorithm which gives us the potential for developing fast overall solvers in the future. The time discretization is based on a second order multi-step method. Numerical tests with exact solutions are presented to validate the accuracy of the method. Application to fluid structure interaction between an incompressible fluid and a compressible gas bubble is also presented. PMID:27087702

A semi-implicit augmented IIM for Navier-Stokes equations with open, traction, or free boundary conditions.

PubMed

Li, Zhilin; Xiao, Li; Cai, Qin; Zhao, Hongkai; Luo, Ray

2015-08-15

In this paper, a new Navier-Stokes solver based on a finite difference approximation is proposed to solve incompressible flows on irregular domains with open, traction, and free boundary conditions, which can be applied to simulations of fluid structure interaction, implicit solvent model for biomolecular applications and other free boundary or interface problems. For some problems of this type, the projection method and the augmented immersed interface method (IIM) do not work well or does not work at all. The proposed new Navier-Stokes solver is based on the local pressure boundary method, and a semi-implicit augmented IIM. A fast Poisson solver can be used in our algorithm which gives us the potential for developing fast overall solvers in the future. The time discretization is based on a second order multi-step method. Numerical tests with exact solutions are presented to validate the accuracy of the method. Application to fluid structure interaction between an incompressible fluid and a compressible gas bubble is also presented.

On the development of OpenFOAM solvers based on explicit and implicit high-order Runge-Kutta schemes for incompressible flows with heat transfer

NASA Astrophysics Data System (ADS)

D'Alessandro, Valerio; Binci, Lorenzo; Montelpare, Sergio; Ricci, Renato

2018-01-01

Open-source CFD codes provide suitable environments for implementing and testing low-dissipative algorithms typically used to simulate turbulence. In this research work we developed CFD solvers for incompressible flows based on high-order explicit and diagonally implicit Runge-Kutta (RK) schemes for time integration. In particular, an iterated PISO-like procedure based on Rhie-Chow correction was used to handle pressure-velocity coupling within each implicit RK stage. For the explicit approach, a projected scheme was used to avoid the "checker-board" effect. The above-mentioned approaches were also extended to flow problems involving heat transfer. It is worth noting that the numerical technology available in the OpenFOAM library was used for space discretization. In this work, we additionally explore the reliability and effectiveness of the proposed implementations by computing several unsteady flow benchmarks; we also show that the numerical diffusion due to the time integration approach is completely canceled using the solution techniques proposed here.

A set of parallel, implicit methods for a reconstructed discontinuous Galerkin method for compressible flows on 3D hybrid grids

DOE PAGES

Xia, Yidong; Luo, Hong; Frisbey, Megan; ...

2014-07-01

A set of implicit methods are proposed for a third-order hierarchical WENO reconstructed discontinuous Galerkin method for compressible flows on 3D hybrid grids. An attractive feature in these methods are the application of the Jacobian matrix based on the P1 element approximation, resulting in a huge reduction of memory requirement compared with DG (P2). Also, three approaches -- analytical derivation, divided differencing, and automatic differentiation (AD) are presented to construct the Jacobian matrix respectively, where the AD approach shows the best robustness. A variety of compressible flow problems are computed to demonstrate the fast convergence property of the implemented flowmore » solver. Furthermore, an SPMD (single program, multiple data) programming paradigm based on MPI is proposed to achieve parallelism. The numerical results on complex geometries indicate that this low-storage implicit method can provide a viable and attractive DG solution for complicated flows of practical importance.« less

Multigrid calculation of three-dimensional turbomachinery flows

NASA Technical Reports Server (NTRS)

Caughey, David A.

1989-01-01

Research was performed in the general area of computational aerodynamics, with particular emphasis on the development of efficient techniques for the solution of the Euler and Navier-Stokes equations for transonic flows through the complex blade passages associated with turbomachines. In particular, multigrid methods were developed, using both explicit and implicit time-stepping schemes as smoothing algorithms. The specific accomplishments of the research have included: (1) the development of an explicit multigrid method to solve the Euler equations for three-dimensional turbomachinery flows based upon the multigrid implementation of Jameson's explicit Runge-Kutta scheme (Jameson 1983); (2) the development of an implicit multigrid scheme for the three-dimensional Euler equations based upon lower-upper factorization; (3) the development of a multigrid scheme using a diagonalized alternating direction implicit (ADI) algorithm; (4) the extension of the diagonalized ADI multigrid method to solve the Euler equations of inviscid flow for three-dimensional turbomachinery flows; and also (5) the extension of the diagonalized ADI multigrid scheme to solve the Reynolds-averaged Navier-Stokes equations for two-dimensional turbomachinery flows.

Comments on "Including the effects of temperature-dependent opacities in the implicit Monte Carlo algorithm" by N.A. Gentile [J. Comput. Phys. 230 (2011) 5100-5114

NASA Astrophysics Data System (ADS)

Ghosh, Karabi

2017-02-01

We briefly comment on a paper by N.A. Gentile [J. Comput. Phys. 230 (2011) 5100-5114] in which the Fleck factor has been modified to include the effects of temperature-dependent opacities in the implicit Monte Carlo algorithm developed by Fleck and Cummings [1,2]. Instead of the Fleck factor, f = 1 / (1 + βcΔtσP), the author derived the modified Fleck factor g = 1 / (1 + βcΔtσP - min [σP‧ (aTr4 - aT4)cΔt/ρCV, 0 ]) to be used in the Implicit Monte Carlo (IMC) algorithm in order to obtain more accurate solutions with much larger time steps. Here β = 4 aT3 / ρCV, σP is the Planck opacity and the derivative of Planck opacity w.r.t. the material temperature is σP‧ = dσP / dT.

An image-based reaction field method for electrostatic interactions in molecular dynamics simulations of aqueous solutions

NASA Astrophysics Data System (ADS)

Lin, Yuchun; Baumketner, Andrij; Deng, Shaozhong; Xu, Zhenli; Jacobs, Donald; Cai, Wei

2009-10-01

In this paper, a new solvation model is proposed for simulations of biomolecules in aqueous solutions that combines the strengths of explicit and implicit solvent representations. Solute molecules are placed in a spherical cavity filled with explicit water, thus providing microscopic detail where it is most needed. Solvent outside of the cavity is modeled as a dielectric continuum whose effect on the solute is treated through the reaction field corrections. With this explicit/implicit model, the electrostatic potential represents a solute molecule in an infinite bath of solvent, thus avoiding unphysical interactions between periodic images of the solute commonly used in the lattice-sum explicit solvent simulations. For improved computational efficiency, our model employs an accurate and efficient multiple-image charge method to compute reaction fields together with the fast multipole method for the direct Coulomb interactions. To minimize the surface effects, periodic boundary conditions are employed for nonelectrostatic interactions. The proposed model is applied to study liquid water. The effect of model parameters, which include the size of the cavity, the number of image charges used to compute reaction field, and the thickness of the buffer layer, is investigated in comparison with the particle-mesh Ewald simulations as a reference. An optimal set of parameters is obtained that allows for a faithful representation of many structural, dielectric, and dynamic properties of the simulated water, while maintaining manageable computational cost. With controlled and adjustable accuracy of the multiple-image charge representation of the reaction field, it is concluded that the employed model achieves convergence with only one image charge in the case of pure water. Future applications to pKa calculations, conformational sampling of solvated biomolecules and electrolyte solutions are briefly discussed.

The Effect of Implicitly Incentivized Faking on Explicit and Implicit Measures of Doping Attitude: When Athletes Want to Pretend an Even More Negative Attitude to Doping

PubMed Central

Wolff, Wanja; Schindler, Sebastian; Brand, Ralf

2015-01-01

The Implicit Association Test (IAT) aims to measure participants’ automatic evaluation of an attitude object and is useful especially for the measurement of attitudes related to socially sensitive subjects, e.g. doping in sports. Several studies indicate that IAT scores can be faked on instruction. But fully or semi-instructed research scenarios might not properly reflect what happens in more realistic situations, when participants secretly decide to try faking the test. The present study is the first to investigate IAT faking when there is only an implicit incentive to do so. Sixty-five athletes (22.83 years ± 2.45; 25 women) were randomly assigned to an incentive-to-fake condition or a control condition. Participants in the incentive-to-fake condition were manipulated to believe that athletes with lenient doping attitudes would be referred to a tedious 45-minute anti-doping program. Attitudes were measured with the pictorial doping brief IAT (BIAT) and with the Performance Enhancement Attitude Scale (PEAS). A one-way MANOVA revealed significant differences between conditions after the manipulation in PEAS scores, but not in the doping BIAT. In the light of our hypothesis this suggests that participants successfully faked an exceedingly negative attitude to doping when completing the PEAS, but were unsuccessful in doing so on the reaction time-based test. This study assessed BIAT faking in a setting that aimed to resemble a situation in which participants want to hide their attempts to cheat. The two measures of attitude were differentially affected by the implicit incentive. Our findings provide evidence that the pictorial doping BIAT is relatively robust against spontaneous and naïve faking attempts. (B)IATs might be less prone to faking than implied by previous studies. PMID:25902142

Exact charge and energy conservation in implicit PIC with mapped computational meshes

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

Chen, Guangye; Barnes, D. C.

This paper discusses a novel fully implicit formulation for a one-dimensional electrostatic particle-in-cell (PIC) plasma simulation approach. Unlike earlier implicit electrostatic PIC approaches (which are based on a linearized Vlasov Poisson formulation), ours is based on a nonlinearly converged Vlasov Amp re (VA) model. By iterating particles and fields to a tight nonlinear convergence tolerance, the approach features superior stability and accuracy properties, avoiding most of the accuracy pitfalls in earlier implicit PIC implementations. In particular, the formulation is stable against temporal (Courant Friedrichs Lewy) and spatial (aliasing) instabilities. It is charge- and energy-conserving to numerical round-off for arbitrary implicitmore » time steps (unlike the earlier energy-conserving explicit PIC formulation, which only conserves energy in the limit of arbitrarily small time steps). While momentum is not exactly conserved, errors are kept small by an adaptive particle sub-stepping orbit integrator, which is instrumental to prevent particle tunneling (a deleterious effect for long-term accuracy). The VA model is orbit-averaged along particle orbits to enforce an energy conservation theorem with particle sub-stepping. As a result, very large time steps, constrained only by the dynamical time scale of interest, are possible without accuracy loss. Algorithmically, the approach features a Jacobian-free Newton Krylov solver. A main development in this study is the nonlinear elimination of the new-time particle variables (positions and velocities). Such nonlinear elimination, which we term particle enslavement, results in a nonlinear formulation with memory requirements comparable to those of a fluid computation, and affords us substantial freedom in regards to the particle orbit integrator. Numerical examples are presented that demonstrate the advertised properties of the scheme. In particular, long-time ion acoustic wave simulations show that numerical accuracy does not degrade even with very large implicit time steps, and that significant CPU gains are possible.« less

An exact solution to the relativistic equation of motion of a charged particle driven by a linearly polarized electromagnetic wave

NASA Technical Reports Server (NTRS)

Shebalin, John V.

1988-01-01

An exact analytic solution is found for a basic electromagnetic wave-charged particle interaction by solving the nonlinear equations of motion. The particle position, velocity, and corresponding time are found to be explicit functions of the total phase of the wave. Particle position and velocity are thus implicit functions of time. Applications include describing the motion of a free electron driven by an intense laser beam..

Solution algorithms for the two-dimensional Euler equations on unstructured meshes

NASA Technical Reports Server (NTRS)

Whitaker, D. L.; Slack, David C.; Walters, Robert W.

1990-01-01

The objective of the study was to analyze implicit techniques employed in structured grid algorithms for solving two-dimensional Euler equations and extend them to unstructured solvers in order to accelerate convergence rates. A comparison is made between nine different algorithms for both first-order and second-order accurate solutions. Higher-order accuracy is achieved by using multidimensional monotone linear reconstruction procedures. The discussion is illustrated by results for flow over a transonic circular arc.

A comparison of viscous-plastic sea ice solvers with and without replacement pressure

NASA Astrophysics Data System (ADS)

Kimmritz, Madlen; Losch, Martin; Danilov, Sergey

2017-07-01

Recent developments of the explicit elastic-viscous-plastic (EVP) solvers call for a new comparison with implicit solvers for the equations of viscous-plastic sea ice dynamics. In Arctic sea ice simulations, the modified and the adaptive EVP solvers, and the implicit Jacobian-free Newton-Krylov (JFNK) solver are compared against each other. The adaptive EVP method shows convergence rates that are generally similar or even better than those of the modified EVP method, but the convergence of the EVP methods is found to depend dramatically on the use of the replacement pressure (RP). Apparently, using the RP can affect the pseudo-elastic waves in the EVP methods by introducing extra non-physical oscillations so that, in the extreme case, convergence to the VP solution can be lost altogether. The JFNK solver also suffers from higher failure rates with RP implying that with RP the momentum equations are stiffer and more difficult to solve. For practical purposes, both EVP methods can be used efficiently with an unexpectedly low number of sub-cycling steps without compromising the solutions. The differences between the RP solutions and the NoRP solutions (when the RP is not being used) can be reduced with lower thresholds of viscous regularization at the cost of increasing stiffness of the equations, and hence the computational costs of solving them.

Calculation of the recirculating compressible flow downstream a sudden axisymmetric expansion

NASA Technical Reports Server (NTRS)

Vandromme, D.; Haminh, H.; Brunet, H.

1988-01-01

Significant progress has been made during the last five years to adapt conventional Navier-Stokes solver for handling nonconservative equations. A primary type of application is to use transport equation turbulence models, but the extension is also possible for describing the transport of nonpassive scalars, such as in reactive media. Among others, combustion and gas dissociation phenomena are topics needing a considerable research effort. An implicit two step scheme based on the well-known MacCormack scheme has been modified to treat compressible turbulent flows on complex geometries. Implicit treatment of nonconservative equations (in the present case a two-equation turbulence model) opens the way to the coupled solution of thermochemical transport equations.

Multigrid for hypersonic viscous two- and three-dimensional flows

NASA Technical Reports Server (NTRS)

Turkel, E.; Swanson, R. C.; Vatsa, V. N.; White, J. A.

1991-01-01

The use of a multigrid method with central differencing to solve the Navier-Stokes equations for hypersonic flows is considered. The time dependent form of the equations is integrated with an explicit Runge-Kutta scheme accelerated by local time stepping and implicit residual smoothing. Variable coefficients are developed for the implicit process that removes the diffusion limit on the time step, producing significant improvement in convergence. A numerical dissipation formulation that provides good shock capturing capability for hypersonic flows is presented. This formulation is shown to be a crucial aspect of the multigrid method. Solutions are given for two-dimensional viscous flow over a NACA 0012 airfoil and three-dimensional flow over a blunt biconic.

Fully-Implicit Navier-Stokes (FIN-S)

NASA Technical Reports Server (NTRS)

Kirk, Benjamin S.

2010-01-01

FIN-S is a SUPG finite element code for flow problems under active development at NASA Lyndon B. Johnson Space Center and within PECOS: a) The code is built on top of the libMesh parallel, adaptive finite element library. b) The initial implementation of the code targeted supersonic/hypersonic laminar calorically perfect gas flows & conjugate heat transfer. c) Initial extension to thermochemical nonequilibrium about 9 months ago. d) The technologies in FIN-S have been enhanced through a strongly collaborative research effort with Sandia National Labs.

Development of a Two-Dimensional/Axisymmetric Implicit Navier-Stokes Solver Using Flux-Difference Splitting Concepts and Fully General Geometry

DTIC Science & Technology

1985-09-01

Q+ + Q-)(A~tO~+ A~xei~+ A,fyfi~) + (R+ + R - ) (A~/tO ~ + A~/xein + AT/yfin ) - [A~x ev~ + A~ yfv ~ + a’lx ev~ q- A~y fv~] -t- O(A 2) 24 AEDC...8217 ~ - BAr Q+ + Q - A~t~ ~ + A/~xei~ (23) + A/~yfi~)+ ( R + + R-)(A~lt¢.~ + A~/xei.~ + A~yf.~)] + ~Ar(A~xev~ + A~ yfv ~ + A%ev, 1 + A~ yfv ~ + 0(A2

Multigrid treatment of implicit continuum diffusion

NASA Astrophysics Data System (ADS)

Francisquez, Manaure; Zhu, Ben; Rogers, Barrett

2017-10-01

Implicit treatment of diffusive terms of various differential orders common in continuum mechanics modeling, such as computational fluid dynamics, is investigated with spectral and multigrid algorithms in non-periodic 2D domains. In doubly periodic time dependent problems these terms can be efficiently and implicitly handled by spectral methods, but in non-periodic systems solved with distributed memory parallel computing and 2D domain decomposition, this efficiency is lost for large numbers of processors. We built and present here a multigrid algorithm for these types of problems which outperforms a spectral solution that employs the highly optimized FFTW library. This multigrid algorithm is not only suitable for high performance computing but may also be able to efficiently treat implicit diffusion of arbitrary order by introducing auxiliary equations of lower order. We test these solvers for fourth and sixth order diffusion with idealized harmonic test functions as well as a turbulent 2D magnetohydrodynamic simulation. It is also shown that an anisotropic operator without cross-terms can improve model accuracy and speed, and we examine the impact that the various diffusion operators have on the energy, the enstrophy, and the qualitative aspect of a simulation. This work was supported by DOE-SC-0010508. This research used resources of the National Energy Research Scientific Computing Center (NERSC).

An analytic, approximate method for modeling steady, three-dimensional flow to partially penetrating wells

NASA Astrophysics Data System (ADS)

Bakker, Mark

2001-05-01

An analytic, approximate solution is derived for the modeling of three-dimensional flow to partially penetrating wells. The solution is written in terms of a correction on the solution for a fully penetrating well and is obtained by dividing the aquifer up, locally, in a number of aquifer layers. The resulting system of differential equations is solved by application of the theory for multiaquifer flow. The presented approach has three major benefits. First, the solution may be applied to any groundwater model that can simulate flow to a fully penetrating well; the solution may be superimposed onto the solution for the fully penetrating well to simulate the local three-dimensional drawdown and flow field. Second, the approach is applicable to isotropic, anisotropic, and stratified aquifers and to both confined and unconfined flow. Third, the solution extends over a small area around the well only; outside this area the three-dimensional effect of the partially penetrating well is negligible, and no correction to the fully penetrating well is needed. A number of comparisons are made to existing three-dimensional, analytic solutions, including radial confined and unconfined flow and a well in a uniform flow field. It is shown that a subdivision in three layers is accurate for many practical cases; very accurate solutions are obtained with more layers.

Methodology of modeling and measuring computer architectures for plasma simulations

NASA Technical Reports Server (NTRS)

Wang, L. P. T.

1977-01-01

A brief introduction to plasma simulation using computers and the difficulties on currently available computers is given. Through the use of an analyzing and measuring methodology - SARA, the control flow and data flow of a particle simulation model REM2-1/2D are exemplified. After recursive refinements the total execution time may be greatly shortened and a fully parallel data flow can be obtained. From this data flow, a matched computer architecture or organization could be configured to achieve the computation bound of an application problem. A sequential type simulation model, an array/pipeline type simulation model, and a fully parallel simulation model of a code REM2-1/2D are proposed and analyzed. This methodology can be applied to other application problems which have implicitly parallel nature.

Numerical Simulation of Combustion and Rotor-Stator Interaction in a Turbine Combustor

DOE PAGES

Isvoranu, Dragos D.; Cizmas, Paul G. A.

2003-01-01

This article presents the development of a numerical algorithm for the computation of flow and combustion in a turbine combustor. The flow and combustion are modeled by the Reynolds-averaged Navier-Stokes equations coupled with the species-conservation equations. The chemistry model used herein is a two-step, global, finite-rate combustion model for methane and combustion gases. The governing equations are written in the strong conservation form and solved using a fully implicit, finite-difference approximation. The gas dynamics and chemistry equations are fully decoupled. A correction technique has been developed to enforce the conservation of mass fractions. The numerical algorithm developed herein has beenmore » used to investigate the flow and combustion in a one-stage turbine combustor.« less

Direct Coupling Method for Time-Accurate Solution of Incompressible Navier-Stokes Equations

NASA Technical Reports Server (NTRS)

Soh, Woo Y.

1992-01-01

A noniterative finite difference numerical method is presented for the solution of the incompressible Navier-Stokes equations with second order accuracy in time and space. Explicit treatment of convection and diffusion terms and implicit treatment of the pressure gradient give a single pressure Poisson equation when the discretized momentum and continuity equations are combined. A pressure boundary condition is not needed on solid boundaries in the staggered mesh system. The solution of the pressure Poisson equation is obtained directly by Gaussian elimination. This method is tested on flow problems in a driven cavity and a curved duct.

Fully kinetic particle simulations of high pressure streamer propagation

NASA Astrophysics Data System (ADS)

Rose, David; Welch, Dale; Thoma, Carsten; Clark, Robert

2012-10-01

Streamer and leader formation in high pressure devices is a dynamic process involving a hierarchy of physical phenomena. These include elastic and inelastic particle collisions in the gas, radiation generation, transport and absorption, and electrode interactions. We have performed 2D and 3D fully EM implicit particle-in-cell simulation model of gas breakdown leading to streamer formation under DC and RF fields. The model uses a Monte Carlo treatment for all particle interactions and includes discrete photon generation, transport, and absorption for ultra-violet and soft x-ray radiation. Central to the realization of this fully kinetic particle treatment is an algorithm [D. R. Welch, et al., J. Comp. Phys. 227, 143 (2007)] that manages the total particle count by species while preserving the local momentum distribution functions and conserving charge. These models are being applied to the analysis of high-pressure gas switches [D. V. Rose, et al., Phys. Plasmas 18, 093501 (2011)] and gas-filled RF accelerator cavities [D. V. Rose, et al. Proc. IPAC12, to appear].

When 95% Accurate Isn't: Exploring Bayes's Theorem

ERIC Educational Resources Information Center

CadwalladerOlsker, Todd D.

2011-01-01

Bayes's theorem is notorious for being a difficult topic to learn and to teach. Problems involving Bayes's theorem (either implicitly or explicitly) generally involve calculations based on two or more given probabilities and their complements. Further, a correct solution depends on students' ability to interpret the problem correctly. Most people…

A Characterization of Dynamic Reasoning: Reasoning with Time as Parameter

ERIC Educational Resources Information Center

Keene, Karen Allen

2007-01-01

Students incorporate and use the implicit and explicit parameter time to support their mathematical reasoning and deepen their understandings as they participate in a differential equations class during instruction on solutions to systems of differential equations. Therefore, dynamic reasoning is defined as developing and using conceptualizations…

Can False Memories Prime Problem Solutions?

ERIC Educational Resources Information Center

Howe, Mark L.; Garner, Sarah R.; Dewhurst, Stephen A.; Ball, Linden J.

2010-01-01

Previous research has suggested that false memories can prime performance on related implicit and explicit memory tasks. The present research examined whether false memories can also be used to prime higher order cognitive processes, namely, insight-based problem solving. Participants were asked to solve a number of compound remote associate task…

You're Biased

ERIC Educational Resources Information Center

Paterson, Jim

2017-01-01

Like it or not, research shows time and again that despite best intentions, assumptions are made about others--judgments based on sweeping cultural or racial stereotypes, preconceptions parents quietly fostered, or even someone's clothing style or resemblance to a middle school bully. In an effort to find a solution to implicit bias, researchers…

Time to End the Bias towards Inclusive Education?

ERIC Educational Resources Information Center

Runswick-Cole, Katherine

2011-01-01

The UK coalition Government's call to end the "bias" towards inclusion represents a shift in "policy speak" as the new administration attempts to re-narrate special education by putting forward a "reasonable and sensible" solution to the "problem of inclusion". However, implicit in the call is the assumption…

A New Discretization Method of Order Four for the Numerical Solution of One-Space Dimensional Second-Order Quasi-Linear Hyperbolic Equation

ERIC Educational Resources Information Center

Mohanty, R. K.; Arora, Urvashi

2002-01-01

Three level-implicit finite difference methods of order four are discussed for the numerical solution of the mildly quasi-linear second-order hyperbolic equation A(x, t, u)u[subscript xx] + 2B(x, t, u)u[subscript xt] + C(x, t, u)u[subscript tt] = f(x, t, u, u[subscript x], u[subscript t]), 0 less than x less than 1, t greater than 0 subject to…

Looking for empty topological wormhole spacetimes in F(R)-modified gravity

NASA Astrophysics Data System (ADS)

Di Criscienzo, R.; Myrzakulov, R.; Sebastiani, L.

2013-12-01

Much attention has been recently devoted to modified theories of gravity, the simplest models of which overcome General Relativity simply by replacing R with F(R) in the Einstein-Hilbert action. Unfortunately, such models typically lack most of the beautiful solutions discovered in Einstein’s gravity. Nonetheless, in F(R) gravity, it has been possible to get at least few black holes, but still we do not know any empty wormhole-like spacetime solution. This paper aims to explain why it is so hard to get such solutions (given that they exist!). Few solutions are derived in the simplest cases, while only an implicit form has been obtained in the non-trivial case.

Clarity and ambiguity in psychoanalytic practice.

PubMed

Szajnberg, Nathan

2011-03-01

The author explores the presence and the essential tension between clarity and ambiguity as processes within our minds that become prominent in psychoanalysis. We learn from aesthetics and literary criticism that ambiguity can shade from taut disorganization to tolerating life's richness; clarity can range from a concrete fixity to a lucid grasp of one's state of mind. This article responds to Wallerstein's (1991) challenge to find common ground in psychoanalytic practice: We attempt this by avoiding metapsychological jargon and relying on more experience-near terms, such as clarity and ambiguity. The article also refers to Sandler's (1983) concept of implicit theory-that psychoanalysts use "preconscious, overlapping but not fully integrated models" (Sandler, 1988, p. 388)-in this case explicating how clarity and ambiguity are frequent but implicit phenomena in clinical work. Identifying these and the essential tension between them permits us to both improve training and identify our clinical efforts. The analyst's and analysand's tolerance of the tension between clarity and ambiguity facilitates increased structuralization and emotional robustness.

How can coastal parks contain the destructive impact of a tsunami? A numerical approach to the understanding of tsunami-triggered waves in the presence of coastal hills

NASA Astrophysics Data System (ADS)

Marras, Simone; Suckale, Jenny; Lunghino, Brent; Giraldo, Francis X.; Constantinescu, Emil

2016-04-01

From the now common idea that vegetated shores may reduce the power of a destructive storm surge, an increasing number of coastal communities around the world are extending this thinking to the design of coastal parks as a way to limit the impact of a tsunami. Tsunamis and storm surges are significantly different in nature and behavior, and it is implausible that vegetation alone could act as a tsunami mitigation tool. A more comprehensive approach relies on the installation of vegetated, scattered mitigation hills in front of the shore to deviate the incoming tsunami wave instead. The analysis of how natural obstacles affect non-linear tsunami waves is still very limited and consists mostly of one-dimensional studies (e.g., [1, 2]). To that end, this work aims to extend the analysis of the interaction of waves of different shapes (solitary wave, N-wave), sizes (amplitude and wave length), and configurations with large obstacles to two-dimensional flows. The following metrics are used for a quantification of the results: 1) tsunami run-up and run-down and 2) a measure of channelization (via the flow kinetic energy and discharge). First, preliminary results show that the configuration of the obstacles is consequential as long as the amplitude of the incoming wave is large enough relative to the obstacles. In second instance, we also observed that the channelization of the flow between two neighboring obstacles may not be greatly affected solely by the distance between obstacles, but must be analyzed in relationship to the initial wave/wave train. This study is based on the numerical solution of the viscous shallow water equations via high order discontinuous finite elements method (DG) using a quadrilateral version of the model described in [3] and with fully implicit time integration [4]. Large and relatively massive hills appear to be a better solution than any offshore concrete walls, which have shown to possibly enhance the tsunami catastrophic power rather than reducing it. Nevertheless, without a thorough understanding of the behavior of non-linear waves when they approach coastal configurations such as hills, coastal parks may still be far from a safe reality. References [1] P. Lynett (2007) "Effect of shallow water obstruction on long wave run-up and overland flow velocity" J. Waterway, Port, Coastal, Ocean Engrg. 136:455-462 [2] G. F. Carrier, T. T. Wu, H. Yeh (2003) "Tsunami run-up and draw-down on a plane beach" J. Fluid Mech. 475:79-99. [3] F. X. Giraldo and M. Restelli (2010) "High-order semi- implicit time-integrators for a triangular discontinuous Galerkin oceanic shallow water model" Int. J. Numer. Methods Fluids, 63:1077-1102. [4] F X. Giraldo, J F.. Kelly, and E. Constantinescu. "Implicit-explicit formulations of a three-dimensional Nonhydrostatic Unified Model of the Atmosphere (NUMA)" SIAM J. Sci. Comput., 35:1162-1194, 2013.

Phase-field approach to implicit solvation of biomolecules with Coulomb-field approximation

NASA Astrophysics Data System (ADS)

Zhao, Yanxiang; Kwan, Yuen-Yick; Che, Jianwei; Li, Bo; McCammon, J. Andrew

2013-07-01

A phase-field variational implicit-solvent approach is developed for the solvation of charged molecules. The starting point of such an approach is the representation of a solute-solvent interface by a phase field that takes one value in the solute region and another in the solvent region, with a smooth transition from one to the other on a small transition layer. The minimization of an effective free-energy functional of all possible phase fields determines the equilibrium conformations and free energies of an underlying molecular system. All the surface energy, the solute-solvent van der Waals interaction, and the electrostatic interaction are coupled together self-consistently through a phase field. The surface energy results from the minimization of a double-well potential and the gradient of a field. The electrostatic interaction is described by the Coulomb-field approximation. Accurate and efficient methods are designed and implemented to numerically relax an underlying charged molecular system. Applications to single ions, a two-plate system, and a two-domain protein reveal that the new theory and methods can capture capillary evaporation in hydrophobic confinement and corresponding multiple equilibrium states as found in molecular dynamics simulations. Comparisons of the phase-field and the original sharp-interface variational approaches are discussed.

Precision of Sensitivity in the Design Optimization of Indeterminate Structures

NASA Technical Reports Server (NTRS)

Patnaik, Surya N.; Pai, Shantaram S.; Hopkins, Dale A.

2006-01-01

Design sensitivity is central to most optimization methods. The analytical sensitivity expression for an indeterminate structural design optimization problem can be factored into a simple determinate term and a complicated indeterminate component. Sensitivity can be approximated by retaining only the determinate term and setting the indeterminate factor to zero. The optimum solution is reached with the approximate sensitivity. The central processing unit (CPU) time to solution is substantially reduced. The benefit that accrues from using the approximate sensitivity is quantified by solving a set of problems in a controlled environment. Each problem is solved twice: first using the closed-form sensitivity expression, then using the approximation. The problem solutions use the CometBoards testbed as the optimization tool with the integrated force method as the analyzer. The modification that may be required, to use the stiffener method as the analysis tool in optimization, is discussed. The design optimization problem of an indeterminate structure contains many dependent constraints because of the implicit relationship between stresses, as well as the relationship between the stresses and displacements. The design optimization process can become problematic because the implicit relationship reduces the rank of the sensitivity matrix. The proposed approximation restores the full rank and enhances the robustness of the design optimization method.

Parallel/Vector Integration Methods for Dynamical Astronomy

NASA Astrophysics Data System (ADS)

Fukushima, Toshio

1999-01-01

This paper reviews three recent works on the numerical methods to integrate ordinary differential equations (ODE), which are specially designed for parallel, vector, and/or multi-processor-unit(PU) computers. The first is the Picard-Chebyshev method (Fukushima, 1997a). It obtains a global solution of ODE in the form of Chebyshev polynomial of large (> 1000) degree by applying the Picard iteration repeatedly. The iteration converges for smooth problems and/or perturbed dynamics. The method runs around 100-1000 times faster in the vector mode than in the scalar mode of a certain computer with vector processors (Fukushima, 1997b). The second is a parallelization of a symplectic integrator (Saha et al., 1997). It regards the implicit midpoint rules covering thousands of timesteps as large-scale nonlinear equations and solves them by the fixed-point iteration. The method is applicable to Hamiltonian systems and is expected to lead an acceleration factor of around 50 in parallel computers with more than 1000 PUs. The last is a parallelization of the extrapolation method (Ito and Fukushima, 1997). It performs trial integrations in parallel. Also the trial integrations are further accelerated by balancing computational load among PUs by the technique of folding. The method is all-purpose and achieves an acceleration factor of around 3.5 by using several PUs. Finally, we give a perspective on the parallelization of some implicit integrators which require multiple corrections in solving implicit formulas like the implicit Hermitian integrators (Makino and Aarseth, 1992), (Hut et al., 1995) or the implicit symmetric multistep methods (Fukushima, 1998), (Fukushima, 1999).

Numerical Solution of Incompressible Navier-Stokes Equations Using a Fractional-Step Approach

NASA Technical Reports Server (NTRS)

Kiris, Cetin; Kwak, Dochan

1999-01-01

A fractional step method for the solution of steady and unsteady incompressible Navier-Stokes equations is outlined. The method is based on a finite volume formulation and uses the pressure in the cell center and the mass fluxes across the faces of each cell as dependent variables. Implicit treatment of convective and viscous terms in the momentum equations enables the numerical stability restrictions to be relaxed. The linearization error in the implicit solution of momentum equations is reduced by using three subiterations in order to achieve second order temporal accuracy for time-accurate calculations. In spatial discretizations of the momentum equations, a high-order (3rd and 5th) flux-difference splitting for the convective terms and a second-order central difference for the viscous terms are used. The resulting algebraic equations are solved with a line-relaxation scheme which allows the use of large time step. A four color ZEBRA scheme is employed after the line-relaxation procedure in the solution of the Poisson equation for pressure. This procedure is applied to a Couette flow problem using a distorted computational grid to show that the method minimizes grid effects. Additional benchmark cases include the unsteady laminar flow over a circular cylinder for Reynolds Numbers of 200, and a 3-D, steady, turbulent wingtip vortex wake propagation study. The solution algorithm does a very good job in resolving the vortex core when 5th-order upwind differencing and a modified production term in the Baldwin-Barth one-equation turbulence model are used with adequate grid resolution.

Generalised solutions for fully nonlinear PDE systems and existence-uniqueness theorems

NASA Astrophysics Data System (ADS)

Katzourakis, Nikos

2017-07-01

We introduce a new theory of generalised solutions which applies to fully nonlinear PDE systems of any order and allows for merely measurable maps as solutions. This approach bypasses the standard problems arising by the application of Distributions to PDEs and is not based on either integration by parts or on the maximum principle. Instead, our starting point builds on the probabilistic representation of derivatives via limits of difference quotients in the Young measures over a toric compactification of the space of jets. After developing some basic theory, as a first application we consider the Dirichlet problem and we prove existence-uniqueness-partial regularity of solutions to fully nonlinear degenerate elliptic 2nd order systems and also existence of solutions to the ∞-Laplace system of vectorial Calculus of Variations in L∞.

Scalable Implementation of Finite Elements by NASA _ Implicit (ScIFEi)

NASA Technical Reports Server (NTRS)

Warner, James E.; Bomarito, Geoffrey F.; Heber, Gerd; Hochhalter, Jacob D.

2016-01-01

Scalable Implementation of Finite Elements by NASA (ScIFEN) is a parallel finite element analysis code written in C++. ScIFEN is designed to provide scalable solutions to computational mechanics problems. It supports a variety of finite element types, nonlinear material models, and boundary conditions. This report provides an overview of ScIFEi (\\Sci-Fi"), the implicit solid mechanics driver within ScIFEN. A description of ScIFEi's capabilities is provided, including an overview of the tools and features that accompany the software as well as a description of the input and output le formats. Results from several problems are included, demonstrating the efficiency and scalability of ScIFEi by comparing to finite element analysis using a commercial code.

A cubic spline approximation for problems in fluid mechanics

NASA Technical Reports Server (NTRS)

Rubin, S. G.; Graves, R. A., Jr.

1975-01-01

A cubic spline approximation is presented which is suited for many fluid-mechanics problems. This procedure provides a high degree of accuracy, even with a nonuniform mesh, and leads to an accurate treatment of derivative boundary conditions. The truncation errors and stability limitations of several implicit and explicit integration schemes are presented. For two-dimensional flows, a spline-alternating-direction-implicit method is evaluated. The spline procedure is assessed, and results are presented for the one-dimensional nonlinear Burgers' equation, as well as the two-dimensional diffusion equation and the vorticity-stream function system describing the viscous flow in a driven cavity. Comparisons are made with analytic solutions for the first two problems and with finite-difference calculations for the cavity flow.

Numerical studies of unsteady two dimensional subsonic flows using the ICE method. Ph.D. Thesis - Toledo Univ.

NASA Technical Reports Server (NTRS)

Wieber, P. R.

1973-01-01

A numerical program was developed to compute transient compressible and incompressible laminar flows in two dimensions with multicomponent mixing and chemical reaction. The algorithm used the Los Alamos Scientific Laboratory ICE (Implicit Continuous-Fluid Eulerian) method as its base. The program can compute both high and low speed compressible flows. The numerical program incorporating the stabilization techniques was quite successful in treating both old and new problems. Detailed calculations of coaxial flow very close to the entry plane were possible. The program treated complex flows such as the formation and downstream growth of a recirculation cell. An implicit solution of the species equation predicted mixing and reaction rates which compared favorably with the literature.

On improving the iterative convergence properties of an implicit approximate-factorization finite difference algorithm. [considering transonic flow

NASA Technical Reports Server (NTRS)

Desideri, J. A.; Steger, J. L.; Tannehill, J. C.

1978-01-01

The iterative convergence properties of an approximate-factorization implicit finite-difference algorithm are analyzed both theoretically and numerically. Modifications to the base algorithm were made to remove the inconsistency in the original implementation of artificial dissipation. In this way, the steady-state solution became independent of the time-step, and much larger time-steps can be used stably. To accelerate the iterative convergence, large time-steps and a cyclic sequence of time-steps were used. For a model transonic flow problem governed by the Euler equations, convergence was achieved with 10 times fewer time-steps using the modified differencing scheme. A particular form of instability due to variable coefficients is also analyzed.

SUPG Finite Element Simulations of Compressible Flows for Aerothermodynamic Applications

NASA Technical Reports Server (NTRS)

Kirk, Benjamin S.

2007-01-01

This viewgraph presentation reviews the Streamline-Upwind Petrov-Galerkin (SUPG) Finite Element Simulation. It covers the background, governing equations, weak formulation, shock capturing, inviscid flux discretization, time discretization, linearization, and implicit solution strategies. It also reviews some applications such as Type IV Shock Interaction, Forward-Facing Cavity and AEDC Sharp Double Cone.

Improving Mobile MOOC Learning via Implicit Physiological Signal Sensing

ERIC Educational Resources Information Center

Xiao, Xiang

2017-01-01

Massive Open Online Courses (MOOCs) are becoming a promising solution for delivering high-quality education on a large scale at low cost in recent years. Despite the great potential, today's MOOCs also suffer from challenges such as low student engagement, lack of personalization, and most importantly, lack of direct, immediate feedback channels…