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At least 1,495 records · Page 83

An Improved Treatment of External Boundary for Three-Dimensional Flow Computations

We present an innovative numerical approach for setting highly accurate nonlocal boundary conditions at the external computational boundaries when calculating three-dimensional compressible viscous flows over finite bodies. The approach is based on application of the difference potentials method by V. S. Ryaben'kii and extends our previous technique developed for the two-dimensional case. The new boundary conditions methodology has been successfully combined with the NASA-developed code TLNS3D and used for the analysis of wing-shaped configurations in subsonic and transonic flow regimes. As demonstrated by the computational experiments, the improved external boundary conditions allow one to greatly reduce the size of the computational domain while still maintaining high accuracy of the numerical solution. Moreover, they may provide for a noticeable speedup of convergence of the multigrid iterations.

Tsynkov, Semyon V.↗

Large-Eddy Simulation of Transition to Turbulence in Boundary Layers

Large-eddy simulation results for laminar-to-turbulent transition in a spatially developing boundary layer are presented. The disturbances are ingested into a laminar flow through an unsteady suction-and-blowing strip. The filtered, three-dimensional time- dependent Navier-Stokes equations are integrated numerically using spectral, high-order finite-difference, and three-stage low-storage Runge-Kutta methods. The buffer-domain technique is used for the outflow boundary condition. The localized dynamic model used to parameterize the subgrid-scale stresses begins to have a significant impact at the beginning of the nonlinear transition (or intermittency) region. The flow structures commonly found in experiments are also observed in the present simulation; the computed linear instability modes and secondary instability lambda-vortex structures are in agreement with the experiments, and the streak-like-structures and turbulent statistics compare with both the experiments and the theory. The physics captured in the present LES are consistent with the experiments and the full Navier-Stokes simulation (DNS), at a significant fraction of the DNS cost. A comparison of the results obtained with several SGS models shows that the localized model gives accurate results both in a statistical sense and in terms of predicting the dynamics of the energy-carrying eddies, without ad hoc adjustments.

Huai, Xiao-Li↗

Extension of the DIF3D Code for Molten Salt Reactor Analysis

The molten salt reactor (MSR) with the fuel dissolved into the liquid salt has been selected as one of the six Generation-IV reactors due to its excellent characteristics in the aspects of sustainability, economy, passive safety, and resource utilization. In a MSR, the fuel salt is circulated throughout the whole system and thus some of delayed neutron precursors generated in the core decay in position of low importance or even out of the core. As a result, the multiplication factor (k-eff) of MSR is smaller than that of a reactor of stationary fuel when all the other conditions are same. Therefore, the neutronics code developed for stationary fuel cannot be applied directly to MSR analysis. In this paper, we describe the extension and application of the DIF3D code to MSR neutronics analysis. The DIF3D code system is a multi-group steady-state neutron diffusion and transport theory solver. It provides three flux solution options: finite-difference diffusion theory, nodal diffusion theory, and variational nodal transport theory methods. Eigenvalue, adjoint, fixed source and criticality (concentration) search problems are permitted. The DIF3D code has recently been modified to model the flowing fuel. To verify the new capability of DIF3D, the MSFR [4] core was analyzed with a wide range of velocity field of fuel salt and time spent outside of the core.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

Numerical Research on Magnetic Field, Temperature Field and Flow Field During Melting and Directionally Solidifying TiAl Alloys by Electromagnetic Cold Crucible

The electromagnetic cold crucible (EMCC) technique is an effective method to melt and directionally solidify reactive and high-temperature materials without contamination. The temperature field and fluid flow induced by the electromagnetic field are very important for melting and controlling the microstructure. In this article, a 3D EMCC model for calculating the magnetic field in the charges (TiAl alloys) using the T-Ω finite element method was established and verified. Magnetic fields in the charge under different electrical parameters, positions and dimensions of the charge were calculated and analyzed. The calculated results show that the magnetic field concentrates in the skin layer, and the magnetic flux density (B) increases with increasing of the frequency, charge diameter and current. The maximum B in the charge is affected by the position of the charge in EMCC (h{sub 1}) and the charge height (h{sub 2}), which emerges at the middle of coils (h{sub c}) when the relationship of h{sub c} < h{sub 1} + h{sub 2} < h{sub c} + δ is satisfied. Lower frequency and smaller charge diameter can improve the uniformity of the magnetic field in the charge. Consequently, the induced uniform electromagnetic stirring weakens the turbulence and improves temperature uniformity in the vicinity of the solid/liquid (S/L) interface, which is beneficial to forming a planar S/L interface during directional solidification. Based on the above conclusions, the TiAlNb alloy was successfully melted with lower power consumption and directionally solidified by the square EMCC.

36 MATERIALS SCIENCE↗

Numerical solutions of the unsteady Navier-Stokes equations for arbitrary bodies using boundary-fitted curvilinear coordinates

A method of automatic body-fitted curvilinear coordinate generation is described and used to construct a finite-difference solution of the full incompressible time-dependent Navier-Stokes equations for the unsteady laminar viscous flow arbitrary two-dimensional airfoils or any other two-dimensional body. A method of controlling the spacing of the coordinate lines encircling the body is developed in order to treat high Reynolds number flows, since the coordinate lines must concentrate near the surface to a greater degree as the Reynolds number increases. Multiple airfoils and submerged hydrofoils are treated as illustrative examples. The solution shows good agreement with the Blasius boundary layer solution for the flow past a semi-infinite flat plate.

Thompson, J. F.↗

Robust Approaches to Handling Complex Geometries with Galerkin Difference Methods

The Galerkin difference (GD) basis is a set of continuous, piecewise polynomials defined using a finite-difference-like grid of degrees of freedom. The one dimensional GD basis functions are naturally extended to multiple dimensions using a tensor product construction on quadrilateral elements. The GD basis can be used to define the solution space for a discontinuous Galerkin finite element discretization of partial differential equations. In this work we propose two approaches to handling complex geometries within this setting: (1) using nonconforming, curvilinear GD elements and (2) coupling affine GD elements with curvilinear simplicial elements. In both cases the (semidiscrete) discontinuous Galerkin method is provably energy stable even when variational crimes are committed. Additionally, for both element types a weight-adjusted mass matrix is used, which ensures that only the reference mass matrix must be inverted. We also present sufficient conditions on the treatment of metric terms for the curvilinear, nonconforming GD elements to ensure that the scheme is both constant preserving and conservative. Numerical experiments confirm the stability results and demonstrate the accuracy of the coupled schemes.

97 MATHEMATICS AND COMPUTING↗

The use of Levy-Lees variables in three-dimensional boundary-layer flows

A method for solving a general class of three-dimensional boundary layer flows is developed. In the development, Levy-Lees variables are extended to three dimensions and equations are placed in these similarity variables. An implicit finite difference scheme which is stable for negative transverse velocities is used to solve these equations. The method developed is applied to obtain solutions for sharp and spherically blunted circular cones at angle of attack. Longitudinal and transverse distributions are presented for these cases. Good agreement is found with the results obtained by other numerical schemes and the experimental data of Tracy, for sharp circular cones at angle of attack. For spherically blunted cones at angle of attack, the results are in good agreement with axisymmetric sphere results up to the region where spherical symmetry holds.

Vatsa, V. N.↗

Analytic atomic gradients in the fermi‐löwdin orbital self‐interaction correction

We derived, implemented, and thoroughly tested the complete analytic expression for atomic forces, consisting of the Hellmann‐Feynman term and the Pulay correction, for the Fermi‐Löwdin orbital self‐interaction correction (FLO‐SIC) method. Analytic forces are shown to be numerically accurate through an extensive comparison to forces obtained from finite differences. Using the analytic forces, equilibrium structures for a small set of molecules were obtained. This work opens the possibility of routine self‐interaction free geometrical relaxations of molecules using the FLO‐SIC method. © 2018 Wiley Periodicals, Inc.

Trepte, Kai↗

The gas-grain interaction in the interstellar medium - Thermal accommodation and trapping

The paper develops a numerical model for calculating thermal accommodation coefficients alpha sub T and trapping functions f sub t for gases incident on solid surfaces. The method is especially designed for astrophysical applications in that it treats economically and with moderate accuracy (+ or - 20%) the dependences of alpha sub T and f sub t on finite and different surface and gas temperatures for a large number of gas-surface combinations. In particular, the method is applied to the astrophysical combinations of hydrogen and helium gases incident on graphite, silicon, and ice surfaces. Graphs are presented of the dependence of alpha sub T and f sub t on interstellar gas temperatures in the range of 10 to 10,000 K and grain temperatures in the range 10 to 1000 K, assuming the current estimates of the gas-surface physical parameters such as the composition and the Debye temperature of the grain material, the repulsive range of the surface potential, and the gas-grain adsorption energy.

Burke, J. R.↗

A fast direct solver for a class of two-dimensional separable elliptic equations on the sphere

An efficient, direct, second-order solver for the discrete solution of two-dimensional separable elliptic equations on the sphere 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 wavenumber 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.

Moorthi, Shrinivas↗

Application of multigrid methods to the solution of liquid crystal equations on a SIMD computer

We will describe a finite difference code for computing the equilibrium configurations of the order-parameter tensor field for nematic liquid crystals in rectangular regions by minimization of the Landau-de Gennes Free Energy functional. The implementation of the free energy functional described here includes magnetic fields, quadratic gradient terms, and scalar bulk terms through the fourth order. Boundary conditions include the effects of strong surface anchoring. The target architectures for our implementation are SIMD machines, with interconnection networks which can be configured as 2 or 3 dimensional grids, such as the Wavetracer DTC. We also discuss the relative efficiency of a number of iterative methods for the solution of the linear systems arising from this discretization on such architectures.

Farrell, Paul A.↗

Streamwise computation of duct flows

A computational method is presented to calculate momentum and energy transport in two-dimensional viscous compressible duct flows. The flow in the duct is partitioned into finite streams. The difference equations are then obtained by applying momentum and energy conservation principles directly to the individual streams. The method is applicable to laminar and turbulence flows.

Greywall, M. S.↗

Euler/Navier-Stokes flow computations on flexible configurations for stability analysis

Longitudinal dynamic stability derivatives required for design of aircraft are computed by using the state-of-the-art numerical methods for wing-body configurations. The flow is modeled using the Euler/Navier-Stokes equations with turbulence models and solved using an efficient finite-difference scheme suitable for patched structured grids. Computations are made at a flow regime that is beyond the limits of the current linear methods mostly used for computing stability derivatives. Flow conditions include shockwaves and viscous dominated vortical flows. Effect of Mach number and angle-of-attack on stability derivatives are demonstrated for a typical wing-body configuration. For the same configuration the effects of wing flexibility on the magnitude and phase angles of stability derivatives are also demonstrated.

Guruswamy, G.↗

Euler/Navier-Stokes Flow Computations on Flexible Configurations for Stability Analysis

Abstract Longitudinal dynamic stability derivatives required for design of aircraft are computed by using the state-of-the-art numerical methods for wing-body configurations. The flow is modeled using the Euler/Navier-Stokes equations with turbulence models and solved using an efficient finite-difference scheme suitable for patched structured grids. Computations are made at a flow regime that is beyond the limits of the current linear methods mostly used for computing stability derivatives. Flow conditions include shock-waves and viscous dominated vortical flows. Effect of Mach number and angle-of-attack on stability derivatives are demonstrated for a typical wing-body configuration. For the same configuration the effects of wing flexibility on the magnitude and phase angles of stability derivatives are also demonstrated.

Guruswamy, Guru P.↗

Automatic partitioning of unstructured meshes for the parallel solution of problems in computational mechanics

Most of the recently proposed computational methods for solving partial differential equations on multiprocessor architectures stem from the 'divide and conquer' paradigm and involve some form of domain decomposition. For those methods which also require grids of points or patches of elements, it is often necessary to explicitly partition the underlying mesh, especially when working with local memory parallel processors. In this paper, a family of cost-effective algorithms for the automatic partitioning of arbitrary two- and three-dimensional finite element and finite difference meshes is presented and discussed in view of a domain decomposed solution procedure and parallel processing. The influence of the algorithmic aspects of a solution method (implicit/explicit computations), and the architectural specifics of a multiprocessor (SIMD/MIMD, startup/transmission time), on the design of a mesh partitioning algorithm are discussed. The impact of the partitioning strategy on load balancing, operation count, operator conditioning, rate of convergence and processor mapping is also addressed. Finally, the proposed mesh decomposition algorithms are demonstrated with realistic examples of finite element, finite volume, and finite difference meshes associated with the parallel solution of solid and fluid mechanics problems on the iPSC/2 and iPSC/860 multiprocessors.

Farhat, Charbel↗

Inverse modeling of circular lattices via orbit response measurements in the presence of degeneracy

The number and location of beam position monitors (BPMs) and steerers with respect to the quadrupoles in a circular lattice can lead to degeneracy in the context of fitting linear optics and extracting lattice information from measured closed orbits. Furthermore, the measurement uncertainties due to the imperfection of BPMs and steerers can be propagated by the fitting process in ways that prohibit the successful extraction of discrepancies between lattice elements in the real machine and their description in the corresponding model. We systematically studied the influence of the placement of BPMs and steerers on the reconstruction of linear optics and corresponding lattice information. The derivative of orbit response coefficients with respect to the quadrupole strengths, the Jacobian, is derived as an analytical formula. This analytical version of the Jacobian is used to further derive the theoretical limitations of fitting linear optics from closed orbits in terms of the placement of BPMs and steerers. It is further demonstrated that when evaluating the Jacobian during the fitting procedure, the analytical version can be used in place of the conventional finite-difference computation. This allows for greatly improved efficiency when computing the Jacobian during each iteration of the fitting procedure. The approach is tested with large-scale simulations and the findings are verified by measurement data taken on SIS18 synchrotron at GSI Helmholtz Centre for Heavy Ion Research. The presented methods are of general nature and can be applied to other accelerator lattices as well. The fitting procedure by using the analytical Jacobian is tested in conjunction with various methods for mitigating quasidegeneracy and the results agree with those obtained by using the conventional Jacobian via finite-difference approximation.

47 OTHER INSTRUMENTATION↗