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At least 109 records · Page 6

Multigrid approaches to non-linear diffusion problems on unstructured meshes

The efficiency of three multigrid methods for solving highly non-linear diffusion problems on two-dimensional unstructured meshes is examined. The three multigrid methods differ mainly in the manner in which the nonlinearities of the governing equations are handled. These comprise a non-linear full approximation storage (FAS) multigrid method which is used to solve the non-linear equations directly, a linear multigrid method which is used to solve the linear system arising from a Newton linearization of the non-linear system, and a hybrid scheme which is based on a non-linear FAS multigrid scheme, but employs a linear solver on each level as a smoother. Results indicate that all methods are equally effective at converging the non-linear residual in a given number of grid sweeps, but that the linear solver is more efficient in cpu time due to the lower cost of linear versus non-linear grid sweeps.

Mavriplis, Dimitri J.↗

An efficient full potential implicit method based on characteristics for analysis of supersonic flows

A nonlinear aerodynamic prediction technique based on the full potential equation in conservation form has been developed for the treatment of supersonic flows. The method uses the theory of characteristic signal propagation to accurately simulate the flow structure, which includes shock waves and mixed elliptic-hyperbolic crossflow. An implicit approximate factorization scheme is employed to solve the finite-differenced equation. The necessary body-fitted grid system in every marching plane is generated numerically, using an elliptic grid solver. Results are shown for conical and nonconical wing-body combinations and compared with experimental data and Euler calculations. The method demonstrates an enormous savings in execution time and memory requirements over Euler methods.

Shankar, V.↗

A PANSONIC Navier-Stokes solver

A finite-difference formulation of the full Navier-Stokes equations which demonstrates a capability to economically solve two-dimensional problems has been developed. The basic algorithm was derived from the full, Reynolds-averaged, conservative, Navier-Stokes equations expressed in curvilinear coordinates. Eddy viscosity was determined by the Baldwin and Lomax algebraic turbulence model. This non-iterative, second-order accurate, implicit, numerical algorithm is based on the approximate factorization finite-difference scheme of Beam and Warming. Results indicate a facility for solving subsonic, transonic, and supersonic (hence PANSONIC) flows about arbitrary airfoils for a wide range of Reynolds numbers, Mach numbers, and angles of attack. Current computations demonstrate that vectorized implementations of this algorithm can solve steady-state, two-dimensional problems in five to ten minutes of computer time.

Cooper, G. K.↗

An improved version of NCOREL: A computer program for 3-D nonlinear supersonic potential flow computations

A computer code called NCOREL (for Nonconical Relaxation) has been developed to solve for supersonic full potential flows over complex geometries. The method first solves for the conical at the apex and then marches downstream in a spherical coordinate system. Implicit relaxation techniques are used to numerically solve the full potential equation at each subsequent crossflow plane. Many improvements have been made to the original code including more reliable numerics for computing wing-body flows with multiple embedded shocks, inlet flow through simulation, wake model and entropy corrections. Line relaxation or approximate factorization schemes are optionally available. Improved internal grid generation using analytic conformal mappings, supported by a simple geometric Harris wave drag input that was originally developed for panel methods and internal geometry package are some of the new features.

Siclari, Michael J.↗

On least squares approximations to indefinite problems of the mixed type

A least squares method is presented for computing approximate solutions of indefinite partial differential equations of the mixed type such as those that arise in connection with transonic flutter analysis. The method retains the advantages of finite difference schemes namely simplicity and sparsity of the resulting matrix system. However, it offers some great advantages over finite difference schemes. First, the method is insensitive to the value of the forcing frequency, i.e., the resulting matrix system is always symmetric and positive definite. As a result, iterative methods may be successfully employed to solve the matrix system, thus taking full advantage of the sparsity. Furthermore, the method is insensitive to the type of the partial differential equation, i.e., the computational algorithm is the same in elliptic and hyperbolic regions. In this work the method is formulated and numerical results for model problems are presented. Some theoretical aspects of least squares approximations are also discussed.

Fix, G. J.↗

The UK Met Office GCM with a Sophisticated Radiation Scheme Applied to the Hot Jupiter HD 209458b

To study the complexity of hot Jupiter atmospheres revealed by observations of increasing quality, we have adapted the UK Met Office Global Circulation Model (GCM), the Unified Model (UM), to these exoplanets. The UM solves the full 3D Navier-Stokes equations with a height-varying gravity, avoiding the simplifications used in most GCMs currently applied to exoplanets. In this work we present the coupling of the UM dynamical core to an accurate radiation scheme based on the two-stream approximation and correlated-k method with state-of-the-art opacities from ExoMol. Our first application of this model is devoted to the extensively studied hot Jupiter HD 209458b. We derive synthetic emission spectra and phase curves, and compare them to both previous models also based on state-of-the-art radiative transfer, and to observations. We find a reasonable a agreement between observations and both our days side emission and hot spot offset, however, our night side emissions is too large. Overall our results are qualitatively similar to those found by Showman et al. (2009) with the SPARCMIT gcm, however, we note several quantitative differences: Our simulations show significant variation in the position of the hottest part of the atmosphere with pressure, as expected from simple timescale arguments, and in contrast to the vertical coherency found by Showman et al. (2009). We also see significant quantitative differences in calculated synthetic observations. Our comparisons strengthen the need for detailed intercomparisons of dynamical cores, radiation schemes and post-processing tools to understand these differences. This effort is necessary in order to make robust conclusions about these atmospheres based on GCM results.

radiation↗

Suboptimal schemes for atmospheric data assimilation based on the Kalman filter

This work is directed toward approximating the evolution of forecast error covariances for data assimilation. The performance of different algorithms based on simplification of the standard Kalman filter (KF) is studied. These are suboptimal schemes (SOSs) when compared to the KF, which is optimal for linear problems with known statistics. The SOSs considered here are several versions of optimal interpolation (OI), a scheme for height error variance advection, and a simplified KF in which the full height error covariance is advected. To employ a methodology for exact comparison among these schemes, a linear environment is maintained, in which a beta-plane shallow-water model linearized about a constant zonal flow is chosen for the test-bed dynamics. The results show that constructing dynamically balanced forecast error covariances rather than using conventional geostrophically balanced ones is essential for successful performance of any SOS. A posteriori initialization of SOSs to compensate for model - data imbalance sometimes results in poor performance. Instead, properly constructed dynamically balanced forecast error covariances eliminate the need for initialization. When the SOSs studied here make use of dynamically balanced forecast error covariances, the difference among their performances progresses naturally from conventional OI to the KF. In fact, the results suggest that even modest enhancements of OI, such as including an approximate dynamical equation for height error variances while leaving height error correlation structure homogeneous, go a long way toward achieving the performance of the KF, provided that dynamically balanced cross-covariances are constructed and that model errors are accounted for properly. The results indicate that such enhancements are necessary if unconventional data are to have a positive impact.

Todling, Ricardo↗

Improving gas adsorption modeling for MOFs by local calibration of Hubbard U parameters

While computational screening with density functional theory (DFT) is frequently employed for the screening of metal–organic frameworks (MOFs) for gas separation and storage, commonly applied generalized gradient approximations (GGAs) exhibit self-interaction errors, which hinder the predictions of adsorption energies. We investigate the Hubbard U parameter to augment DFT calculations for full periodic MOFs, targeting a more precise modeling of gas molecule–MOF interactions, specifically for N2, CO2, and O2. We introduce a calibration scheme for the U parameter, which is tailored for each MOF, by leveraging higher-level calculations on the secondary building unit (SBU) of the MOF. When applied to the full periodic MOF, the U parameter calibrated against hybrid HSE06 calculations of SBUs successfully reproduces hybrid-quality calculations of the adsorption energy of the periodic MOF. The mean absolute deviation of adsorption energies reduces from 0.13 eV for a standard GGA treatment to 0.06 eV with the calibrated U, demonstrating the utility of the calibration procedure when applied to the full MOF structure. Furthermore, attempting to use coupled cluster singles and doubles with perturbative triples calculations of isolated SBUs for this calibration procedure shows varying degrees of success in predicting the experimental heat of adsorption. It improves accuracy for N2 adsorption for cases of overbinding, whereas its impact on CO2 is minimal, and ambiguities in spin state assignment hinder consistent improvements of O2 adsorption. Our findings emphasize the limitations of cluster models and advocate the use of full periodic MOF systems with a calibrated U parameter, providing a more comprehensive understanding of gas adsorption in MOFs.

Chemistry↗

Computations of Complex Three-Dimensional Turbulent Free Jets

Three-dimensional, incompressible turbulent jets with rectangular and elliptical cross-sections are simulated with a finite-difference numerical method. The full Navier- Stokes equations are solved at low Reynolds numbers, whereas at high Reynolds numbers filtered forms of the equations are solved along with a sub-grid scale model to approximate the effects of the unresolved scales. A 2-N storage, third-order Runge-Kutta scheme is used for temporary discretization and a fourth-order compact scheme is used for spatial discretization. Although such methods are widely used in the simulation of compressible flows, the lack of an evolution equation for pressure or density presents particular difficulty in incompressible flows. The pressure-velocity coupling must be established indirectly. It is achieved, in this study, through a Poisson equation which is solved by a compact scheme of the same order of accuracy. The numerical formulation is validated and the dispersion and dissipation errors are documented by the solution of a wide range of benchmark problems. Three-dimensional computations are performed for different inlet conditions which model the naturally developing and forced jets. The experimentally observed phenomenon of axis-switching is captured in the numerical simulation, and it is confirmed through flow visualization that this is based on self-induction of the vorticity field. Statistical quantities such as mean velocity, mean pressure, two-point velocity spatial correlations and Reynolds stresses are presented. Detailed budgets of the mean momentum and Reynolds stresses are presented. Detailed budgets of the mean momentum and Reynolds stress equations are presented to aid in the turbulence modeling of complex jets. Simulations of circular jets are used to quantify the effect of the non-uniform curvature of the non-circular jets.

Wilson, Robert V.↗

A general perturbation approach for the equations of fluid dynamics

An efficient numerical technique to produce accurate solutions to the equations of fluid dynamics is presented where the governing equations are perturbed about an approximate solution and solved by finite-difference methods on a coarsened grid. The result is a scheme which substantially reduces the number of grid points necessary to accurately resolve the flow. Applications are presented for the two-dimensional Euler equations perturbed about a solution of the transonic full potential equation. However, the concept is applicable to arbitrary equation sets, higher dimensions and for a wide variety of applications.

Chow, L. J.↗

A parabolized Navier-Stokes algorithm for separated supersonic internal flows

A stable global-iteration procedure is applied to a fully implicit noniterative parabolized Navier-Stokes algorithm to improve the solutions of the single-sweep method as well as to resolve small separation bubbles due to shock-wave/boundary-layer interactions. A modified form of the FLARE approximation is employed in the separated regions and some requirements for stable iterations are discussed. The results of the global-iteration scheme for two test cases of supersonic internal flows are compared against the results of the single-sweep method as well as the results of the full Navier-Stokes solver.

Chitsomboon, T.↗

Computational results for flows over 2-D ramp and 3-D obstacle with an upwind Navier-Stokes solver

An implicit, finite-difference, upwind, full Navier-Stokes solver was applied to supersonic/hypersonic flows over two-dimensional ramps and three-dimensional obstacle. Some of the computed results are presented. The numerical scheme used in the study is an implicit, spacially second order accurate, upwind, LU-ADI scheme based on Roe's approximate Reimann solver with MUSCL differencing of Van Leer. An algebraic grid generation scheme based on generalized interpolation scheme was used in generating the grids for the various 2-D and 3-D problems.

Venkatapathy, Ethiraj↗

Computational results for 2-D and 3-D ramp flows with an upwind Navier-Stokes solver

An implicit, finite-difference, upwind, full Navier-Stokes solver was applied to supersonic/hypersonic flows over two-dimensional ramps and three-dimensional obstacle. Some of the computed results are presented. The numerical scheme used in the study is an implicit, spatially second order accurate, upwind, LU-ADI scheme based on Roe's approximate Reimann solver with MUSCL differencing of Van Leer. An algebraic grid generation scheme based on generalized interpolation scheme was used in generating the grids for the various 2-D and 3-D problems.

Venkatapathy, Ethiraj↗

Numerical Simulation of Turbulent Jets with Rectangular Cross-Section

Three-dimensional turbulent jets with rectangular cross-section are simulated with a finite-difference numerical method. The full Navier-Stokes equations are solved at low Reynolds numbers, whereas at the high Reynolds numbers filtered forms of the equations are solved along with a sub-grid scale model to approximate effects of the unresolved scales. A 2-N storage, third-order Runge-Kutta scheme is used for temporal discretization and a fourth-order compact scheme is used for spatial discretization. Computations are performed for different inlet conditions which represent different types of jet forcing. The phenomenon of axis-switching is observed, and it is confirmed that this is based on self-induction of the vorticity field. Budgets of the mean streamwise velocity show that convection is balanced by gradients of the Reynolds stresses and the pressure.

Wilson, Robert V.↗

Newton like: Minimal residual methods applied to transonic flow calculations

A computational technique for the solution of the full potential equation is presented. The method consists of outer and inner iterations. The outer iterate is based on a Newton like algorithm, and a preconditioned Minimal Residual method is used to seek an approximate solution of the system of linear equations arising at each inner iterate. The present iterative scheme is formulated so that the uncertainties and difficulties associated with many iterative techniques, namely the requirements of acceleration parameters and the treatment of additional boundary conditions for the intermediate variables, are eliminated. Numerical experiments based on the new method for transonic potential flows around the NACA 0012 airfoil at different Mach numbers and different angles of attack are presented, and these results are compared with those obtained by the Approximate Factorization technique. Extention to three dimensional flow calculations and application in finite element methods for fluid dynamics problems by the present method are also discussed. The Inexact Newton like method produces a smoother reduction in the residual norm, and the number of supersonic points and circulations are rapidly established as the number of iterations is increased.

Wong, Y. S.↗

Newton-like minimal residual methods applied to transonic flow calculations

A computational technique for the solution of the full potential equation is presented. The method consists of outer and inner iterations. The outer iterate is based on a Newton like algorithm, and a preconditioned Minimal Residual method is used to seek an approximate solution of the system of linear equations arising at each inner iterate. The present iterative scheme is formulated so that the uncertainties and difficulties associated with many iterative techniques, namely the requirements of acceleration parameters and the treatment of additional boundary conditions for the intermediate variables, are eliminated. Numerical experiments based on the new method for transonic potential flows around the NACA 0012 airfoil at different Mach numbers and different angles of attack are presented, and these results are compared with those obtained by the Approximate Factorization technique. Extention to three dimensional flow calculations and application in finite element methods for fluid dynamics problems by the present method are also discussed. The Inexact Newton like method produces a smoother reduction in the residual norm, and the number of supersonic points and circulations are rapidly established as the number of iterations is increased.

Wong, Y. S.↗

Axisymmetric gyrokinetic simulation of ASDEX-Upgrade scrape-off layer using a conservative implicit BGK collision operator

Collisions play an important role in turbulence and transport of fusion plasmas. For kinetic simulations, as the collisionality increases in the domain of interest, the size of the time step to resolve the collisional physics can become overly restrictive in an explicit time integration scheme, leading to high computational cost. With the aim of overcoming such restriction, we have implemented an implicit Bhatnagar–Gross–Krook (BGK) collision operator for use in the discontinuous Galerkin full-f gyrokinetic solver within the Gkeyll framework, which, when combined with Gkeyll's traditional explicit time integrator for collisionless advection, can significantly increase the time step in gyrokinetic simulations of highly collisional regimes. To ensure conservation of density, momentum, and energy, we utilize an iterative scheme to correct the discretized approximation to the equilibrium Maxwellian distribution to which the BGK collision operator relaxes. We have further generalized the BGK infrastructure, both the implicit scheme and the correction routine, to handle cross-species collisions. This improved implicit and conservative BGK operator is benchmarked against the more accurate but more computationally expensive Lenard–Bernstein–Dougherty (LBD) operator, which has been utilized in prior studies with Gkeyll. The implicit BGK operator enables 2D axisymmetric simulations of the ASDEX-Upgrade scrape-off layer to run 56 times faster to completion than the simulations with the LBD operator, because the BGK operator is more robust and converges at a lower resolution than is required by the LBD operator. Additionally, in this more collisional limit, we demonstrate that the results of our simulations utilizing the implicit BGK operator agreed well with simulations utilizing the more computationally expensive LBD operator.

Gyrokinetic simulations↗

High order filtering methods for approximating hyperbolic systems of conservation laws

The essentially nonoscillatory (ENO) schemes, while potentially useful in the computation of discontinuous solutions of hyperbolic conservation-law systems, are computationally costly relative to simple central-difference methods. A filtering technique is presented which employs central differencing of arbitrarily high-order accuracy except where a local test detects the presence of spurious oscillations and calls upon the full ENO apparatus to remove them. A factor-of-three speedup is thus obtained over the full-ENO method for a wide range of problems, with high-order accuracy in regions of smooth flow.

Lafon, F.↗