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DOE OSTI2022

Smoothed boundary method for simulating incompressible flow in complex geometries

Simulating flow through porous media with explicit considerations of complex microstructures is very challenging using conventional sharp-interface methods because of the difficulties in generating meshes conformal to complex geometries. In this work, a diffuse interface embedded boundary method known as the Smoothed Boundary Method (SBM) is utilized to facilitate simulations of fluid dynamics involving complex geometries. In diffuse-interface methods, the geometry is described by a domain parameter. The SBM allows the straightforward reformulation of the time-dependent Navier-Stokes equations in terms of this domain parameter, using only algebraic identities. Thus, enforcing the appropriate boundary conditions at the irregular embedded boundary is greatly simplified. Adaptive mesh refinement is used to increase the accuracy of the diffuse interface method by allowing thinner interfacial thickness to be used in the domain parameter. Here, the SBM-formulated Navier-Stokes equations are solved with the Finite Difference Method on refined mesh systems. Sharp-interface Finite Element Method simulations using the commercial software COMSOL on body-conforming meshes are also provided for comparison. Favorable agreement between the two methods is observed. Since it is no longer necessary for the mesh to conform to the complex geometry, the grid system for the SBM simulations can be generated rapidly and without additional manual interventions, making the entire simulation process more expedient.

36 MATERIALS SCIENCE↗

DOE OSTI2024

Simulating hindered grain boundary diffusion using the smoothed boundary method

Abstract Grain boundaries can greatly affect the transport properties of polycrystalline materials, particularly when the grain size approaches the nanoscale. While grain boundaries often enhance diffusion by providing a fast pathway for chemical transport, some material systems, such as those of solid oxide fuel cells and battery cathode particles, exhibit the opposite behavior, where grain boundaries act to hinder diffusion. To facilitate the study of systems with hindered grain boundary diffusion, we propose a model that utilizes the smoothed boundary method to simulate the dynamic concentration evolution in polycrystalline systems. The model employs domain parameters with diffuse interfaces to describe the grains, thereby enabling solutions with explicit consideration of their complex geometries. The intrinsic error arising from the diffuse interface approach employed in our proposed model is explored by comparing the results against a sharp interface model for a variety of parameter sets. Finally, two case studies are considered to demonstrate potential applications of the model. First, a nanocrystalline yttria-stabilized zirconia solid oxide fuel cell system is investigated, and the effective diffusivities are extracted from the simulation results and are compared to the values obtained through mean-field approximations. Second, the concentration evolution during lithiation of a polycrystalline battery cathode particle is simulated to demonstrate the method’s capability.

Materials Science↗

NASA NTRS1993

Tests of smoothing methods for topological study of galaxy redshift surveys

Studying the topology of large-scale structure as a way to better understand initial conditions has become more widespread in recent years. Studying topology of simulations (which have periodic boundary conditions) in redshift space produces results compatible with the real topological characteristics of the simulation. Thus we expect we can extract useful information from redshift surveys. However, with nonperiodic boundary conditions, the use of smoothing must result in the loss of information at survey boundaries. In this paper, we test different methods of smoothing samples with nonperiodic boundary conditions to see which most efficiently preserves the topological features of the real distribution. We find that a smoothing method which (unlike most previous published analysis) sums only over cells inside the survey volume produces the best results among the schemes tested.

Melott, Adrian L.↗

NASA NTRS1992

Investigations on entropy layer along hypersonic hyperboloids using a defect boundary layer

A defect approach coupled with matched asymptotic expansions is used to derive a new set of boundary layer equations. This method ensures a smooth matching of the boundary layer with the inviscid solution. These equations are solved to calculate boundary layers over hypersonic blunt bodies involving the entropy gradient effect. Systematic comparisons are made for both axisymmetric and plane flows in several cases with different Mach and Reynolds numbers. After a brief survey of the entropy layer characteristics, the defect boundary layer results are compared with standard boundary layer and full Navier-Stokes solutions. The entropy gradient effects are found to be more important in the axisymmetric case than in the plane one. The wall temperature has a great influence on the results through the displacement effect. Good predictions can be obtained with the defect approach over a cold wall in the nose region, with a first order solution. However, the defect approach gives less accurate results far from the nose on axisymmetric bodies because of the thinning of the entropy layer.

Brazier, J. P.↗

DOE OSTI2022

Calculating the grain boundary inclination of voxelated grain structures using a smoothing algorithm

We have developed a flexible method for calculating the grain boundary (GB) inclinations of voxelated grain structure data using smoothing algorithms. We compared the performance of four algorithms: the linear interpolation, Allen–Cahn, level-set, and vertex algorithms. We assessed their accuracy using 2D and 3D cases with known inclinations. The vertex algorithm provided the best balance between accuracy and efficiency for 2D structures while the linear interpolation algorithm provided the best balance for 3D structures. We compared the GB inclinations calculated using our smoothing method on a 3D high energy X-ray diffraction microscopy (HEDM) dataset to those determined by meshing the GBs. The two approaches determined similar GB plane distributions, though they varied significantly at triple junctions. In conclusion, the smoothing method was demonstrated for two sources of 3D voxelated grain structures: HEDM data and results from Monte Carlo Potts grain growth simulations.

36 MATERIALS SCIENCE↗

NASA NTRS1993

Structured adaptive grid generation using algebraic methods

The accuracy of the numerical algorithm depends not only on the formal order of approximation but also on the distribution of grid points in the computational domain. Grid adaptation is a procedure which allows optimal grid redistribution as the solution progresses. It offers the prospect of accurate flow field simulations without the use of an excessively timely, computationally expensive, grid. Grid adaptive schemes are divided into two basic categories: differential and algebraic. The differential method is based on a variational approach where a function which contains a measure of grid smoothness, orthogonality and volume variation is minimized by using a variational principle. This approach provided a solid mathematical basis for the adaptive method, but the Euler-Lagrange equations must be solved in addition to the original governing equations. On the other hand, the algebraic method requires much less computational effort, but the grid may not be smooth. The algebraic techniques are based on devising an algorithm where the grid movement is governed by estimates of the local error in the numerical solution. This is achieved by requiring the points in the large error regions to attract other points and points in the low error region to repel other points. The development of a fast, efficient, and robust algebraic adaptive algorithm for structured flow simulation applications is presented. This development is accomplished in a three step process. The first step is to define an adaptive weighting mesh (distribution mesh) on the basis of the equidistribution law applied to the flow field solution. The second, and probably the most crucial step, is to redistribute grid points in the computational domain according to the aforementioned weighting mesh. The third and the last step is to reevaluate the flow property by an appropriate search/interpolate scheme at the new grid locations. The adaptive weighting mesh provides the information on the desired concentration of points to the grid redistribution scheme. The evaluation of the weighting mesh is accomplished by utilizing the weight function representing the solution variation and the equidistribution law. The selection of the weight function plays a key role in grid adaptation. A new weight function utilizing a properly weighted boolean sum of various flowfield characteristics is defined. The redistribution scheme is developed utilizing Non-Uniform Rational B-Splines (NURBS) representation. The application of NURBS representation results in a well distributed smooth grid by maintaining the fidelity of the geometry associated with boundary curves. Several algebraic methods are applied to smooth and/or nearly orthogonalize the grid lines. An elliptic solver is utilized to smooth the grid lines if there are grid crossings. Various computational examples of practical interest are presented to demonstrate the success of these methods.

Yang, Jiann-Cherng↗

NASA NTRS1995

Elliptic surface grid generation on minimal and parametrized surfaces

An elliptic grid generation method, which generates boundary conforming grids in a two dimensional physical space, is presented. The method is based on the composition of an algebraic and elliptic transformation. The composite mapping obeys the Poisson grid generation system with control functions specified by the algebraic transformation. It is shown that the grid generation on a minimal surface in a three dimensional space is equivalent to the grid generation in a two dimensional domain in physical space. A second elliptic grid generation method, which generates boundary conforming grids on smooth surfaces, is presented. Concerning surface modeling, it is shown that bicubic Hermit interpolation is an excellent method to generate a smooth surface crossing a discrete set of control points.

Spekreijse, S. P.↗

NASA NTRS1989

The 3DGRAPE book: Theory, users' manual, examples

A users' manual for a new three-dimensional grid generator called 3DGRAPE is presented. The program, written in FORTRAN, is capable of making zonal (blocked) computational grids in or about almost any shape. Grids are generated by the solution of Poisson's differential equations in three dimensions. The program automatically finds its own values for inhomogeneous terms which give near-orthogonality and controlled grid cell height at boundaries. Grids generated by 3DGRAPE have been applied to both viscous and inviscid aerodynamic problems, and to problems in other fluid-dynamic areas. The smoothness for which elliptic methods are known is seen here, including smoothness across zonal boundaries. An introduction giving the history, motivation, capabilities, and philosophy of 3DGRAPE is presented first. Then follows a chapter on the program itself. The input is then described in detail. A chapter on reading the output and debugging follows. Three examples are then described, including sample input data and plots of output. Last is a chapter on the theoretical development of the method.

Sorenson, Reese L.↗

NASA NTRS2004

Adjoint Formulation for an Embedded-Boundary Cartesian Method

Many problems in aerodynamic design can be characterized by smooth and convex objective functions. This motivates the use of gradient-based algorithms, particularly for problems with a large number of design variables, to efficiently determine optimal shapes and configurations that maximize aerodynamic performance. Accurate and efficient computation of the gradient, however, remains a challenging task. In optimization problems where the number of design variables dominates the number of objectives and flow- dependent constraints, the cost of gradient computations can be significantly reduced by the use of the adjoint method. The problem of aerodynamic optimization using the adjoint method has been analyzed and validated for both structured and unstructured grids. The method has been applied to design problems governed by the potential, Euler, and Navier-Stokes equations and can be subdivided into the continuous and discrete formulations. Giles and Pierce provide a detailed review of both approaches. Most implementations rely on grid-perturbation or mapping procedures during the gradient computation that explicitly couple changes in the surface shape to the volume grid. The solution of the adjoint equation is usually accomplished using the same scheme that solves the governing flow equations. Examples of such code reuse include multistage Runge-Kutta schemes coupled with multigrid, approximate-factorization, line-implicit Gauss-Seidel, and also preconditioned GMRES. The development of the adjoint method for aerodynamic optimization problems on Cartesian grids has been limited. In contrast to implementations on structured and unstructured grids, Cartesian grid methods decouple the surface discretization from the volume grid. This feature makes Cartesian methods well suited for the automated analysis of complex geometry problems, and consequently a promising approach to aerodynamic optimization. Melvin e t al. developed an adjoint formulation for the TRANAIR code, which is based on the full-potential equation with viscous corrections. More recently, Dadone and Grossman presented an adjoint formulation for the Euler equations. In both approaches, a boundary condition is introduced to approximate the effects of the evolving surface shape that results in accurate gradient computation.

Nemec, Marian↗

NASA NTRS1976

Design of active controls for the NASA F-8 digital fly-by-wire airplane

The design of a set of control laws for the NASA F-8 digital fly by wire research airplane is described. These control laws implement several active controls functions: maneuver load control, ride smoothing and departure boundary limiting. The criteria and methods which were used in the design of the control laws are also included. Results of linear analyses and nonlinear simulation are summarized.

Gera, J.↗

DOE OSTI2022

High Performance Equilibrium Solvers for Integrated Magnetic Fusion Simulations

With the funding provided by this award, we developed numerical codes for the study of magnetically confined plasmas for fusion applications. Accordingly, our work can be divided into two separate categories: 1) the design and analysis of novel numerical methods providing high accuracy and high efficiency; 2) the study of the equilibrium and stability of magnetically confined plasmas with some of these numerical codes, as well as the study of the nature of the turbulent behavior which may arise in the presence of instabilities. We first developed new numerical schemes based on integral equation methods for the computation of steady-state magnetic configurations in fusion experiments, providing high accuracy for the magnetic field and its derivatives, which are required for stability and turbulence calculations. We employed different integral formulations depending on the application of interest: axisymmetric or non-axisymmetric equilibria, force-free or magnetohydrodynamic equilibria, fixed-boundary equilibria or free-boundary equilibria. While efficient, these methods do not yet apply to plasma boundaries which are not smooth, a situation which is fairly common in magnetic confinement experiments. To address this temporary weakness, we also constructed a new steady-state solver based on the Hybridizable Discontinuous Galerkin (HDG) method, which provides full geometric flexibility. In addition to these numerical tools focused on steady-states, we also contributed to the improvement of the speed and accuracy of codes simulating the plasma dynamics of fusion plasmas, by developing a novel velocity space representation for the efficient solution of kinetic equations, which most accurately describe the time evolution of hot plasmas in fusion experiments. Using the tools discussed above, we studied several questions pertaining to the equilibrium and stability of magnetically confined plasmas. In particular, we derived a new simple model for axisymmetric devices called tokamaks, to predict how elongated a fusion plasma can be before it becomes unstable and collapses. We also looked at the effect of the shape of the outer plasma surface on key properties of the steady-state magnetic configurations, and how these properties impact turbulence in fusion plasmas, and the corresponding transport of momentum. Likewise, we studied the role of large localized flows on the steady-state magnetic configurations, and how they may influence plasma stability and turbulence. Non-axisymmetric steady-state magnetic configurations are inherently more complex than axisymmetric steady-state configurations, and the subject of ongoing controversies regarding the regularity of the equations determining such steady-states, and their solutions. Implementing an existing NYU code in a new geometry, we studied the nature of the singularity of the solutions observed in the code, and methods to eliminate them. Our main conclusion is that by appropriately tailoring the plasma boundary, it is possible to eliminate the singularities otherwise appearing in our simulations, and to obtain steady-states which appear to be smooth. To gain further insights on incompletely understood turbulence phenomena, we proposed a new reduced model capturing most of these phenomena, which is simple enough to not require expensive numerical simulations on massive supercomputers to investigate them. We demonstrated the strong similarity between our simulations and published results obtained from computationally expensive simulations, and plan to rely on our reduced model to identify the key mechanisms determining the evolution and strength turbulent driven transport in fusion plasmas. Finally, we proposed a new framework for tokamak reactor design studies, enabling us to consider the relative merits of steady-state versus pulsed fusion reactors. We found that pulsed fusion reactors may benefit most from recent advances in magnet technology, and the availability of very high field magnets. As such, they may become more desirable than steady-state tokamak reactors for cost efficient electricity generation.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

NASA NTRS1989

Computing Viscoplastic Behavior Of A Material

Finite-element implementation developed for Robinson's unified model of viscoplasticity. Implemented via MARC general-purpose finite-element computer program by incorporating all of nonlinearity of material into initial load vector and treating vector as pseudo body force in finite-element equilibrium equations. In technique, each finite increment split into several equal subincrements, constitutive equations integrated by explicit Euler forward-difference method. HYPELA subroutine in MARC includes adaptive integration scheme selecting optimal sizes of subincrements. Spline function smooths discontinuous boundaries in Robinson's model to facilitate finite-element numerical calculations. Method used to calculate elastic, plastic, and creep deformations in solid materials at various temperatures; also used to study thermomechanical behavior of such things as hot pressure vessels and highly stressed components in engines.

Arya, V. K.↗

NASA NTRS1995

Elliptic surface grid generation on minimal and parmetrized surfaces

An elliptic grid generation method is presented which generates excellent boundary conforming grids in domains in 2D physical space. The method is based on the composition of an algebraic and elliptic transformation. The composite mapping obeys the familiar Poisson grid generation system with control functions specified by the algebraic transformation. New expressions are given for the control functions. Grid orthogonality at the boundary is achieved by modification of the algebraic transformation. It is shown that grid generation on a minimal surface in 3D physical space is in fact equivalent to grid generation in a domain in 2D physical space. A second elliptic grid generation method is presented which generates excellent boundary conforming grids on smooth surfaces. It is assumed that the surfaces are parametrized and that the grid only depends on the shape of the surface and is independent of the parametrization. Concerning surface modeling, it is shown that bicubic Hermite interpolation is an excellent method to generate a smooth surface which is passing through a given discrete set of control points. In contrast to bicubic spline interpolation, there is extra freedom to model the tangent and twist vectors such that spurious oscillations are prevented.

Spekreijse, S. P.↗

NASA NTRS1986

Partial spline models for the inclusion of tropopause and frontal boundary information in otherwise smooth two- and three-dimensional objective analysis

A new method, based on partial spline models, is developed for including specified discontinuities in otherwise smooth two- and three-dimensional objective analyses. The method is appropriate for including tropopause height information in two- and three-dimensinal temperature analyses, using the O'Sullivan-Wahba physical variational method for analysis of satellite radiance data, and may in principle be used in a combined variational analysis of observed, forecast, and climate information. A numerical method for its implementation is described and a prototype two-dimensional analysis based on simulated radiosonde and tropopause height data is shown. The method may also be appropriate for other geophysical problems, such as modeling the ocean thermocline, fronts, discontinuities, etc.

Shiau, Jyh-Jen↗

NASA NTRS1991

High frequency scattering from corrugated stratified cylinders

Interest in applying radar remote sensing for the study of forested areas led to the development of a model for scattering from corrugated stratified dielectric cylinders. The model is used to investigate the effect of bark and its roughness on scattering from tree trunks and branches. The outer layer of the cylinder (bark) is assumed to be a low-loss dielectric material and to have a regular (periodic) corrugation pattern. The inner layers are treated as lossy dielectrics with smooth boundaries. A hybrid solution based on the moment method and the physical optics approximation is obtained. In the solution, the corrugations are replaced with polarization currents that are identical to those of the local tangential periodic corrugated surface, and the stratified cylinder is replaced with equivalent surface currents. New expressions for the equivalent physical-optics currents are used which are more convenient than the standard ones. It is shown that the bark layer and its roughness both reduce the radar cross-section. It is also demonstrated that the corrugations can be replaced by an equivalent anisotropic layer.

Sarabandi, Kamal↗

NASA NTRS1993

Laplace's equation and the Dirichlet-Neumann map in multiply connected domains

A variety of problems in material science and fluid dynamics require the solution of Laplace's equation in multiply connected domains. Integral equation methods are natural candidates for such problems, since they discretize the boundary alone, require no special effort for free boundaries, and achieve superalgebraic convergence rates on sufficiently smooth domains in two space dimensions, regardless of shape. Current integral equation methods for the Dirichlet problem, however, require the solution of M independent problems of dimension N, where M is the number of boundary components and N is the total number of points in the discretization. In this paper, we present a new boundary integral equation approach, valid for both interior and exterior problems, which requires the solution of a single linear system of dimension N + M. We solve this system by making use of an iterative method (GMRES) combined with the last multipole method for the rapid calculation of the necessary matrix vector products. For a two-dimensional system with 200 components and 100 points on each boundary, we gain a speedup of a factor of 100 from the new analytic formulation and a factor of 50 from the fast multipole method. The resulting scheme brings large scale calculations in extremely complex domains within practical reach.

Greenbaum, A.↗

NASA NTRS1985

A consistent spatial differencing scheme for the transonic full-potential equation in three dimensions

A full-potential steady transonic wing flow solver has been modified so that freestream density and residual are captured in regions of constant velocity. This numerically precise freestream consistency is obtained by slightly altering the differencing scheme without affecting the implicit solution algorithm. The changes chiefly affect the fifteen metrics per grid point, which are computed once and stored. With this new method, the outer boundary condition is captured accurately, and the smoothness of the solution is especially improved near regions of grid discontinuity.

Thomas, S. D.↗

NASA NTRS2004

Alternative Attitude Commanding and Control for Precise Spacecraft Landing

A report proposes an alternative method of control for precision landing on a remote planet. In the traditional method, the attitude of a spacecraft is required to track a commanded translational acceleration vector, which is generated at each time step by solving a two-point boundary value problem. No requirement of continuity is imposed on the acceleration. The translational acceleration does not necessarily vary smoothly. Tracking of a non-smooth acceleration causes the vehicle attitude to exhibit undesirable transients and poor pointing stability behavior. In the alternative method, the two-point boundary value problem is not solved at each time step. A smooth reference position profile is computed. The profile is recomputed only when the control errors get sufficiently large. The nominal attitude is still required to track the smooth reference acceleration command. A steering logic is proposed that controls the position and velocity errors about the reference profile by perturbing the attitude slightly about the nominal attitude. The overall pointing behavior is therefore smooth, greatly reducing the degree of pointing instability.

Singh, Gurkirpal↗