Universidade Federal Fluminense Technical Report 3/06 Setembro/2006 An adaptive triangular mesh refinement using graph with autonomous nodes based on Finite Volume method applied to evolutionary PDE’s Sanderson L. Gonzaga de Oliveira and Mauricio Kischinhevski Abstract: This work proposes an adaptive mesh refinement using any form of triangles based on FVM with cellcentered control volumes in order to numerically solve PDE’s. The mesh is represented by a graph, which nodes are autonomous and parent nodes in the adaptive mesh refinement are not stored. This is less computationally expensive and admits more flexibility to link the nodes among neighbors in different levels of refinement, when comparing with a local refinement scheme that uses trees. A Sierpinski curve is used to link the graph nodes. Triangular control volumes are refined by bisection, what permits straightforward update of the list that links the graph nodes without mesh distortion. A Green-Gauss reconstruction is used to determine the gradients of diffusive and viscous terms in the control volumes faces. This work permits using several schemes of linear interpolation to determine the PDE dependent variable in the control volume face. Additionally, linear-system solvers based on the minimization of functionals can be easily employed. Several geometric shapes in the initial domain are allowed. The development of a computational program to numerically solve classical PDE’s will demonstrate its efficiency and advantages in relation to other adaptive mesh refinement schemes. Keywords: adaptive mesh refinement, space-filling curve, numerical method, numerical simulation of PDE’s, Finite Volume method, Sierpinski curve, Green-Gauss reconstruction, numerical integration, linear interpolation. 1. Introduction Many initial value and boundary problems for unsteady PDE’s use structures of small scale, which develop, propagate, decline or disappear when the solution evolutes. Examples include boundary layers in viscous fluids, shock wave discontinuities, and reaction zones in combustion processes, among others. The numerical solution of those problems can be very difficult due to the location, time and nature of such structures are not ordinarily known in the beginning of the process. Using a structured mesh (when all internal points/volumes/elements have the same number of neighbors) to cover the differential problem is not appropriate in such situations because those meshes do not evaluate the differential scales of the phenomena that is being studied. Usually, those meshes are computationally expensive because they should have large number of points to furnish a quality solution. Techniques that use an adaptive mesh refinement are less computationally expensive in such problems. Those techniques are robust, reliable, and efficient. Numerically solving PDE’s in a efficient time requires a mesh that designed points are more refined in regions where the solution or its derivatives quickly change during time evolution. Some adaptive mesh refinement strategy is required, especially in unsteady problems. The idea is to automatically build a coarse mesh where the numerical solution furnishes an appropriate approximation among piecewise cells and to construct a fine mesh where the numerical solution do not supplies an appropriate approximation among piecewise cells, such as singularities, boundary layers, among others. Furthermore, it should have a smooth transition among neighbor piecewise cells, which have different levels of refinement. Frequently, an adaptive mesh refinement enormously reduces the required number of points to obtain an accurate numerical solution for problems that are almost smooth, and can reach a numerical solution with the desired quality in non-smooth problems. 1 This work uses a graph data structure similar to one proposed by Burgarelli et al. (2006), namely Autonomous Leave Graph (ALG). ALG numerically reconstructs the solution using a mesh composed by square shape cells and the initial discrete domain is a unit square. The novel proposed here technique uses a discrete adaptive mesh composed by control volumes with any triangular shape. This technique operates all the required elements for adaptive mesh refinement in Finite Volume method (FVM), which is applied to numerically solve PDE’s. An unstructured mesh composed of triangular control volumes can be more appropriate near physical boundary regions and features of problem with complex geometries. After this brief introduction, section 2 compares some numerical methods to solve PDE’s. Section 3 deals with discretization methods used in FVM with unstructured meshes. Section 4 cites some works that use FVM with unstructured meshes. Section 5 presents the cell-centered Green-Gauss linear integration. Section 6 treats the triangular adaptive refinement. Section 7 presents the graph in detail. Section 8 describes the Sierpinski spacefilling curve used to link the graph nodes. Section 9 shows the ordering mesh used. Finally, section 10 draws some conclusions. 2. Numerical methods for solving PDE’s It should be studied which method is more appropriate for each problem, with its features and singularities. Even after a method is chosen, each method has its own characteristics, for example, which variational formulation should be employed, the kind of mesh to be generated, which location the values of the PDE dependent variable will be determined for each piecewise cell/volume/element. There is a certain quantity of methods for numerically solving PDE’s. Some of them are for specific problems. However, the more employed and well-known are: Finite Difference method (FDM): it approximates solutions to partial differential equations at nodal points, and thus it is rather simple to write FDM codes for problems with simple geometries, regularly in the case of rectangular domains, as long as the coefficients of the PDE are sufficiently smooth (Jeon and Sheen, 2005). In most cases, the computational code for being simpler, it is less expensive and faster than other methods. In general, when an unstructured mesh should be build, researchers choose other method. MDF do not supply a simple form of stability and convergence analyses. It is used in problems that require large refinement of the whole mesh, such as problems in Computational Fluid Dynamic (CFD); Finite Element method (FEM): it is an approximation to the PDE solution. It is used in order to solve PDE’s in more complicated domains with non-smooth coefficients. It has been well-developed in its theory and implementation. FEM has an advanced base theory for developing the stability and convergence analyses. It permits easy unstructured meshes use. Its computational implementation is more complicated than the other methods; Finite Volume method (FVM): it lies between the FDM and the FEM. It is a little bit more complicated than FDM and can be friendlier than FEM. FVM is based in the mass conservation law and its application is simple and convenient, mainly when boundary conditions are prescribed. Classically, it is applied to a PDE in its conservative form, that is, with conservation laws. Such equations characteristically employ a divergent operator. Each equation is located in each control volume and the Gauss Divergence theorem converts each equation to the integral of the flux along the boundary of the control volume. It is required to consider carefully the mesh generation with a proper generation of control volumes in mind in order to obtain an optimal order of convergence. The average flux along each face of a control volume is then approximated by a special finite difference scheme by using data in the neighboring cells. From the implementation point of view, it is easier to code FVM than FEM; for some simple geometry it is as easy to implement the FVM as the FDM. Resolution of PDE’s in unstructured meshes is also relatively easy. Basically, convergence analyses of the FVM can be obtained in the framework of the FEM. Indeed, convergence can be analyzed directly in discrete norms or it can be done function space norms by constructing an equivalent or asymptotically equivalent FEM. Some authors obtained stability and convergence analyses from other forms, which do not use a FEM basis (Jeon and Sheen, 2005); Boundary Element method (BEM): because it requires calculating only boundary values rather than values throughout the space defined by a PDE, it is significantly more efficient in terms of computational resources for problems where there is a small surface/volume ratio. Nevertheless, BEM is considerably less efficient than 2 volume-discretization methods for many problems because BEM formulations typically give rise to fully populated matrices. This means that the storage requirements and computational time will tend to grow according to the square of the problem size. By contrast, matrices of other methods are normally banded (components are only locally connected) and storage requirements for the system matrices naturally grow quite linearly with the problem size. Compression techniques can be used to ameliorate these problems, though at the cost of the added complexity and with a success-rate that depends heavily on the nature of the problem being solved and the geometry involved. BEM is applicable to problems for which Green’s functions can be calculated. These usually involve fields in linear homogeneous media. This places considerable restrictions on the range and generality of problems to which boundary elements can usefully be applied. Nonlinearities can be included in the formulation, although they will generally introduce volume integrals which then require the volume to be discretized before solution can be attempted, removing one of the most often cited advantages of BEM. Table I depicts a brief summary comparing those four methods. It can be verified that each method presents advantages and disadvantages and should be applied depending the problem features. Table I: Advantages e disadvantages among four methods for numerically solving PDE’s Method FDM FEM FVM BEM Computational High Small Relative Relative implementation ease Computationally efficiency comparing to others for the Yes No Yes Yes problems that is better applicable Applicability in solving problems with Depends to the complex geometry and Small High Small problem non-smooth coefficients Stability and Depends the Difficult Easy Difficult convergence analyses problem Applicability with Small High On average Small unstructured mesh Usage in the last Very high High On average Small decades Applicability in PDE’s in the conservation On average On average High On average form Requirements of careful mesh Small High High High generation Usage in problems that requires large High Small High Small discretization, such CFD’s problems Besides those four cited methods, there are other specific methods for classes of problems or launched recently. For example, Aftomis (1997) presented the Cartesian method in an aerodynamics problem. Koh and Tsai (2003) presented this method for Euler solution. For a simple geometry, such as airfoils, it is not economical to employ a Cartesian method since number of grid points required to ensure sufficient resolution is higher than body-fitted grid method. 3 Other example is the Cell Boundary Element method (CBEM) that is a FEM version with FVM concepts. It is also based in the flux continuity. Firstly using a fundamental solution, the governing differential equation is converted into the Laplace equation on each cell. Then the average flux on each face of a cell is evaluated by using the Dirichlet-Neumann map. Using the continuity of fluxes along each interface, it is obtained the CBEM (Jeon and Sheen, 2005). Currently, CBEM is being developed, for example, for evolutionary problems. This present work uses an adaptive triangular mesh refinement developed for FVM, which has been applied to approximate complex problems in several areas of science and engineering, especially for environmental draining, scattering prediction of pollutants in the atmosphere, water and earth, in aerodynamic problems, draining study over several surfaces, in petroleum reservoirs, in simulations to increase efficiency of petroleum recovering available in a reservoir, among others. Integral conservation law states that the total size rate of a substance with density in a specific finite volume is equal to the total flux of the substance through the finite volume boundary. In other words, the key concept used during the FVM formulation is the principle of conservation of a specific physical quantity expressed by governing equations over any finite volume. The flux domain is discretized in a set of control volumes non-overlapped, which can be irregular in size and shape. In other words, similarly to other methods that obtain approximated equations from balance equations, FVM consists in the integration of the differential equation in the conservative form of the control volume. 3. FVM discretization schemes used with unstructured meshes Commonly, there are two schemes for FVM mesh discretization: cell-centered and vertex-centered. Both discretizations differ in the location of the control volumes in the mesh and the flux variable: (i) In the cell-centered scheme, flux quantities are stored in the proper finite volume centroids and the mesh has simple geometry; (ii) In the vertex-centered scheme, flux variables are stored in the mesh vertices. Control volumes are composed of sub-finite volumes, that is, parts of finite volumes, which the vertex belongs. Convective and diffusive terms should be carefully considered. In FVM, it is required to evaluate the dependent variable value and its gradient in the control volume face for applying Gauss Divergence theorem. Therefore, methods pursue appropriate forms for those requirements, for example, to adequately establish a parallel segment between evaluation points and the outward normal vector, which is used in the Gauss Divergence theorem. In general, methods follow the formulation namely as reconstruction by Green-Gauss linear integration, which use both theorems to evaluate the gradients in the control volume faces. It is the strict application of FVM basic formulation for unstructured meshes. Convective and diffusive terms are evaluated in all control volume faces. Green-Gauss reconstruction disadvantage is the angle evaluation between the segment between each control volume centroids and faces. Some correction should be done and numerical oscillations can occur in turbulent flows and discontinuities. Besides, special calculations, through physical and mathematical knowledge, in the studied problem should be accomplished for higher order accuracy. Habitually, works that reconstruct the solution through a cell-centered scheme are Green-Gauss reconstruction and simplified least square gradient reconstruction, proposed by Barth in 1991 (Barth and Olberger, 2004), and can be used also for vertex-centered schemes. Although simplified least square gradient reconstruction is computationally more expensive than Green-Gauss reconstruction, for distorted meshes the simplified least square gradient reconstruction gives better results than the Green-Gauss reconstruction. In general, works use the following techniques for the vertex-centered schemes: Median dual for general simplex meshes and Voronoi diagrams, which uses Delaunay triangulation. Both approaches can, coarsely, be said as Green-Gauss reconstruction adapted to evaluation in the mesh vertices. Both create a dual mesh for determining the required quantities. Voronoi diagrams take advantage that the faces that compose a control volume are orthogonal to the segment between control volume centroids (centroids of simplices). Voronoi diagrams are attractive for its simplicity in evaluation of dependent variable and gradients in the control volume faces, though, it requires a strict dual mesh generation named Delaunay triangulation and hybrid meshes are not possible. There is also the possibility of determination points out of the cells. It can reconstruct the entire mesh in local refinements. 4 Median dual can be used with general meshes. It follows a formulation such as FEM test functions. The Median dual plays a special role because one can show that using a specific numerical quadrature, the FEM method with linear elements and FVM on median duals are equivalent (Barth and Olberger, 2004). This enables stability and convergence analyses directly from FEM. On the other hand, Median dual can be more expensive for the dual mesh generation and the resolution of small linear systems required for each control volume, in the same form that MEF does. Cell-vertex schemes are first-order accurate on distorted grids. On Cartesian or on smooth grids the cell-vertex schemes are second or higher order accurate depending on flux evaluation scheme. In the opposite, the discretization error of cell-centered scheme depends strongly on the smoothness of the grid. In general, a cellcentered scheme on triangular/tetrahedral grid leads to about two/six times more control volumes. Hence, cellcentered schemes have more degrees (more unknowns) of freedom than Median dual scheme. In addition, control volumes in cell-centered scheme are usually smaller than those in cell-vertex scheme. This suggests that cellcentered schemes are more accurate. However, residual of cell-centered-scheme results from much smaller number of fluxes compared to Median dual scheme. Boundary condition implementation in cell-vertex schemes requires additional logic in order to assure a consistent solution at boundary points, contrary to cell-centered schemes, which it is simple. Thus, there is no clear evidence about which scheme is better (Yousuf, 2005). Nevertheless, the data structure should be adapted for a vertex-centered scheme, whereas it is straightforward in a cell-centered scheme. Taking in account the above characteristics, this work determines the PDE dependent variable at the centroids (barycentric is the triangle gravity center) of the proper triangular control volume. FVM discretization and formulation using cell-centered control volumes are easily found in the open literature. Figure 1 depicts a triangular mesh with centroids in the proper finite volume. Figure 1: Example mesh with control volumes in the proper finite volume (Barth e Ohlberger, 2004). Other reason for determining the PDE dependent variable in the triangular control volume centroids is to follow the storage scheme of the data structure used in the present work. Those values should be stored uniquely in the graph nodes and it is required using a list created by a modified Sierpinski curve for mesh ordering. If the values were determined in the refined triangular control volumes vertices, the PDE dependent variable values would be doubled in the graph nodes. In order to avoid this, it would be required a uniform refinement of the mesh to appear vertices in the interior of the domain. Those vertices would be associated to three or more triangular control volume, what do not agree with an adaptive mesh refinement. It would be possible the generation of ghost triangular control volumes, what in practice, would create a dual mesh, hence, more computational effort. Creating local Delaunay triangulation would require an adaptation of the whole mesh. Producing ghost triangular control volumes for determination through Median dual scheme would require PDE dependent variable evaluation also in the vertices that early existed, what would increase the linear system in n unknowns, where n is the number of the triangular control volumes in the mesh. Determining the PDE dependent variable in the triangular control volume centroids has a similar advantage of Median dual, that is, using finite volume centroids for generating control volumes, it is assured that it will not have exterior points in the mesh. In addition, it can be used general meshes. Opposite to control volumes created, for example, from Voronoi diagrams, whose centroids are circumcenters and thus the centroids can be exterior to the triangular control volumes because it requires Delaunay triangulation. 5 4. FVM with unstructured meshes 4.1. Vertex-centered control volume schemes The majority of the works that use vertex-centered schemes uses either Voronoi diagrams for its simplicity in the formulation or Median dual, which permits generic mesh usage. As examples, it can be cited the following works that use Voronoi diagrams: Jameson et al. (1986) in aerodynamics problems; Miller and Wang (1994) in numerical solution of two-dimensional unsteady incompressible flow problems; Turner and Ferguson (1995) applied a hexagonal mesh in the numerical simulation of mass and heat transfer in porous media; Chou (1997) in the Stokes problem; Perot (2000) in conservation properties of unstructured staggered mesh; Nallapati and Perot (2000) in numerical simulation of free-surface flows using a moving unstructured mesh; Maliska and Vasconcellos (2000) used the scheme to simulate flows with moving fronts using an unstructured mesh; Jayantha and Turner (2003a) to simulate transport in orthotropic porous media; Jayantha and Turner (2003b) simulating transport in anisotropic porous media; Ju (2004) shows an algorithm for mesh generation; among many others. As examples of works that used Median dual scheme, it can be cited: Dwyer and Grcar (1998) employed the method in the solution of the Navier-Stokes equation; Schulz and Kallinderis (1998) in unsteady flow structure interaction for incompressible flows; Schneider and Maliska (2002) show an approach for numerical simulation of two-dimensional unsteady convective-diffusive problems; Bastian and Lang (2004) in parallel procedures; Hainke (2004) in a convective problem; among many others. 4.2. Cell-centered control volume schemes In general, cell-centered control volume schemes use Green-Gauss reconstruction and simplified least-square gradient scheme. Examples of Green-Gauss reconstruction are: Kim and Choi (2000) presented a second-order time-accurate numerical solution for unsteady incompressible flow problems; Schneider and Maliska (2002) showed an approach for numerical simulation of unsteady two-dimensional convective-diffusive problems; among many other works. Examples for simplified least-square gradient reconstruction are: Kobayashi et al. (1999) applied a numerical simulation in steady two-dimensional incompressible viscous recirculating flows; OllivierGooch and Altena (2002) applied the scheme in the numerical simulation of the advection-diffusion equation, among other works. 4.3. Higher order accurate schemes First-order accurate schemes are strongly diffusive. Higher order accurate schemes pursue to avoid numerical oscillations. Some of those methods are: quadratic reconstruction, MUSCL (Monotone Upstream centered Scheme for Conservation Laws), Frink’s reconstruction (Frink et al., 1991), ENO/WENO (Weighted Essentially NonOscillatory). Quadratic reconstruction was proposed by Barth in 1990 to vertex-centered control volumes (Barth e Olberger, 2004). Delanaye and Essers, in 1997, developed a particular form of quadratic reconstruction for the cellcentered scheme which is computationally more efficient than the Barth method (Yousuf, 2005). MUSCL was developed by van Leer in 1979. It is a second-order accurate extension of the scheme proposed by Godunov in 1959 (Barth e Ohlberger, 2004). ENO and WENO are also higher order accuracy that follows the Godunov scheme. Frink’s reconstruction is an extension of the scheme proposed by Barth and Jaspersen in 1989 for threedimensional problems (Frink et al., 1991). There are works that pursue second-order accuracy for specific classes of problems. Other works use both approaches for vertex/cell-centered control volumes, for example, McManus et al. (2000) show a scalable strategy for the parallelization of multiphysics unstructured mesh-iterative codes on distributed-memory systems, Barth and Ohlberger (2004) show a complete FVM foundation and analysis of the earlier cited schemes. Besides, there are several other works that use FVM with unstructured meshes either applied to specific problems or proposing also specific solutions. 6 5. Green-Gauss reconstruction Higher order accurate schemes pursue to avoid numerical oscillation; however, they are more computationally expensive, such as Frick’s reconstruction and ENO/WENO schemes, as well as in the generation of a dual mesh of the quadratic reconstruction. MUSCL obligates to include some non-linearity, namely limiters. The design and implementation of limiters and especially multidimensional limiters is an active research field. Simplified leastsquare gradient reconstruction requires solving small linear systems to each cell average cell. In general, those techniques are more expensive than Green-Gauss reconstruction. Green-Gauss reconstruction is not appropriate to distorted meshes, however, this present work warrants the mesh quality because the refinement adopted. Pursuing a simple implementation and low computational cost, this work uses Green-Gauss reconstruction. It pursues to determinate gradients (diffusive and viscous terms) in the control volume faces as easy as a vertexcentered dual scheme, however, without generating a dual mesh because the quality mesh is warranted. It is presented an example of formulation applied to a two-dimensional unsteady convective-diffusive problem, where velocity field is known and Cartesian coordinate system (x,y) is adopted: u 2 S (1) t where is the diffusive coefficient, S represents source term, ρ is the specific fluid mass, u is the velocity vector and t is the time. Figure 2 depicts two control volumes, where control volume centroids are represented by P and 1 points. The face between two neighbor control volumes is limited by a and b points. Integration point is represented by ip, and the normal outward vector is represented by n . Figure 2: Two neighbor control volumes, whose centroids are P and 1, and ip is the integration point. Points a and b of Figure 2 determine the effective area where element P1 changes flow. The segment between a and b points is also the addition of area vectors of aip and ipb segments, represented by vector n over ip integration point. Vector n is not, necessarily, parallel to P1 . Integration point, where flows are evaluated, is located in the average point of P1 segment. Mass quantities of each sub-control volume are the half of Pa1b, namely a diamond cell. Governing equation is rewritten in divergent form and it follows the FMV basic formulation for unstructured meshes. After Gauss Divergence theorem application, source term lineariazed, numerical integration in time and space, yield to: 3 V (2) M PnPn M Pn 1Pn 1 t [ (u n )ipip ( n )ip ( S Pip SC ) Pa1b ] 2 ip 1 where MP=ρ∆VP is the mass of the control volume and ∆VP is the P control volume area. When the quantity parcels of all elements are added and boundary conditions applied, there is a conservative algebric equation of control volume P, connected to its neighbors, that yields: 3 Aii Bipip Sci (3) ip 1 7 where i indicates the number of control volumes, A is a diagonal matrix of the control volume mass, and B represents the evaluated coefficients in the control volume. 5.1. Linear interpolation in the convective term The used interpolation function evaluates the value of a generic property in the control volume interface. Differencing schemes apply to the linearization of advetive terms, i.e., the discretization of convected quantities. Early attempts to solve advection-diffusion problems applied the Central Differencing scheme (CDS), but are predominantly diffusive problems. For problems with predominant advection, solutions exhibited non-physical behavior. Those issues initiated the development of a multitude of differencing schemes. Some of these are: i) CDS is the most straightforward discretization of the convected variable, since it simply follows the linear interpolation idea. In terms of a Taylor-series expansion, CDS is second-order accurate, but it is rarely used nowadays owing to its conditional stability (Madsen, 1998). Oscillations in numerical solutions enable upstream propagation of any disturbance even for purely advective cases. In the Figure 2 example, a Taylor-series expansion around ip integration point, 1 and 2 values can be calculate as (Schneider and Maliska, 2002): 2 ( L / 2) 2 1 ip | ip ( L / 2) 2 | ip ... ... n 2 n 2 ( L / 2) 2 2 ip | ip ( L / 2) 2 | ip ... ... n 2 n In CDS, ip value is given by adding equation (4) and (5), assuming second-order accuracy: ip (4) (5) 1 2 (6) 2 ii) Upwind Differencing Scheme (UDS) is a well-known remedy for the difficulties encountered in CDS. It was first put forward by Courant, Isaacson and Rees in 1952 and subsequently reinvented by Gentry, Martin and Daly in 1966, Brakat and Clark in 1966, and Runchal and Wolfshtein in 1969 (Patankar, 1980). It consists of setting the cell-face value equal to the nearest cell-center value in the upstream direction (Madsen, 1998). UDS is only firstorder accurate but still an improvement over CDS, as it gets rid upstream propagation of disturbances. The low accuracy of the relatively crude UDS is often interpreted as causing excessive numerical diffusion, and makes it quite common to apply higher order upwind schemes including more upstream points for the interpolation of ip . Value of ip is given by adding equations (4) and (5), assuming first-order accuracy: ip 1 for cos β > 0 ip 2 for cos β < 0 (7) u (8) where β is the angle of velocity vector with segment P1 in Figure 2. iii) Weighted Upwind Differencing Scheme (WUDS) is a combination of CDS and UDS using weights; iv) Hybrid Differencing Scheme (HDS) is also a combination of CDS and UDS, which was suggested by Spalding in 1972 (Madsen, 1998); v) Quick scheme was propose by Leonard in 1979 (Versteeg e Malalasekera, 1995). It performs the interpolation by fitting a parabola through the two upstream points and the one downstream point nearest the face. v) Higher order accurate schemes of interpolation use information from two or more points in the upstream direction. For example, Skew Upwind Differencing Scheme (SUDS or Skew UDS), which interpolates values in the faces using two points of the flow. Schneider and Maliska (2002) proposed: 1 cos 1 cos ip 1 2 (9) 2 2 8 Schneider and Maliska (2002) still suggested two other schemes. Patankar (1980) also presents different schemes. There are other schemes and for each one, it should be studied which one would be better applied. 5.2. Diffusive term Several approaches are proposed in the open literature to deal with the diffusive term. The dot product between the gradient vector of the PDE dependent variable and the normal outward vector can be given by (Schneider and Maliska, 2002): A(1 P ) n (10) L cos where L and A are the size of P1 and ab segments, respectively, and α is the angle between normal outward vector and P1 segment. 5.3. Higher order accurate approaches To avoid numerical oscillations, several approaches were proposed in the open literature to reconstruction with higher order accuracy. It can be cited the second-order accurate scheme propose by Kim and Choi (2000). Figure 3 depicts a similar scheme of Figure 2. It is defined a generalized coordinate system with covariant bases (e1, e2) locally on each control volume face, where e1 and e2 are unit vectors from Pc (the cross-sectional point of P1 P2 and Pa Pb ) to P2 and from Pc to Pb, respectively. Note that it is not the mid-point on the cell face. The gradient of at Pc can be expressed as: 1 2 (11) e e where ξ and η represent the directions along e1 e e2, respectively, and e1 and e2 are corresponding contravariant bases (Kim e Choi, 2000). Then, the normal component in Pf can be written as: 2 1 b a tan (12) |Pf n n 1 2 where δ1 and δ2 are the normal distances to the control volume face, respectively, from P1 and P2, θ is the angle between n and e1, and ∆η is the distance from Pa to Pb. It is interesting to note that equation (12) is composed of two terms: the first one corresponds to the principal diffusion and the second one corresponds to the cross diffusion as in the curvilinear coordinate system. When n is parallel to P1 P2 , the second term vanishes (Kim and Choi, 2000). The C value at Pc is obtained with second-order accuracy (linear interpolation): c 1 2 2 1 (14) 1 2 The f value is evaluated by adding a correction term to C : 12 21 21 a b 1 2 | | 1 2 1 2 where ε is the vector from Pc to Pf , |ε| is the magnitude of ε and: f (15) Ncs / A i 1 Ncs i i 1/ A i 1 (16) i where α=a or b, Ncs is the number of the control volumes sharing the vertex, i is the ith control volume value, and Ai is the ith control volume area. 9 Figure 3: Interpolation of flow variables at the mid-point on the control volume face (Kim e Choi, 2000). 5.4. Considerations In the computational tests, it will be used prescribed flows for boundary condition. FVM for advection problems are subjected to Courant-Friendrichs-Lewy (CFL) condition (Kim and Choi, 2000), which imposes that the maximum stable time step for the entire mesh depends on the minimum control volume are. Avoiding CFL condition is especially important in an adaptive mesh refinement because there are few control volumes very small, which force a reduced time step for the whole mesh. 6. Adaptive mesh refinement technique with triangular cell-centered control volumes This work uses terms ‘vertex’ and ‘face’ in relation to triangles and ‘nodes’ and ‘edges’ to deal with graphs. Figure 4a depicts an initial discretization scheme. Figure 4b depicts a graph of this initial scheme. The barycentric of the triangle is represented as a black point in Figure 4a. Graph in Figure 4b presents two types of linked nodes: cell node (in black) and transition nodes (in white). (a) (b) Figure 4: (a) Triangle as the problem domain; (b) links for graph data structure (cell node represents the refinement of level 0 and transition nodes represent boundaries). This scheme of control volume refinement uses bisection (to divide an element in two equal parts) of triangular control volumes, i.e., median segment is traced from the chosen vertex to the mid-point of the opposite face. In Figure 5, it was chosen to refine the initial control volume of Figure 4a tracing the median from superior vertex and 10 the opposite mid-point of the opposite face. It can be chosen any median for refinement. Nevertheless, it is traced median between biggest vertex angle and its opposite face (that is, also the biggest face) for avoiding a mesh distortion. (a) (b) Figure 5: (a) Refinement examples with triangular control volumes (initial refinement); (b) graph with transition and cell nodes that form the scheme of triangular control volume refinement (numbers by graph nodes represent the refinement level). Both cell nodes in Figure 5b represent each triangular control volume in Figure 5a. Graph links in Figure 5b are represented by lines. Those three additional nodes, which are pointed from cell nodes, are named transition nodes. Both cell nodes in Figure 5b point to transition nodes. Transition nodes represent the domain boundary faces in Figure 5b. It is created three additional nodes (white circles in Figure 5b) in order to the edges that do not point to cell nodes make sense when indicate the boundary domain. Each transition node also points to cell nodes, which point them. Each node has three pointers as can be seen in Figure 5b. Pointers that are not used in transition nodes receive a null pointer. A possible mesh refinement is depicts in Figure 6, where the right-hand side triangle of Figure 5a is adaptively refined. Figure 6: Adaptive refinement for triangular control volumes. 7. Graph data structure in the adaptive mesh refinement formed by triangular control volumes Parent nodes are deleted in the local refinement of each triangular control volume. It is just stored cell nodes that represent the two new triangular control volume children that are generated and the three transition nodes required. Children cell nodes become autonomous as their parent node is deleted. Figure 7 depicts a bunch created in righthand side from the cell node showed in left-hand side. This renders a low computational cost and flexibility when going through cell nodes with different levels of refinement in comparison with methods that use a tree-based refinement scheme. When a triangular control volume is refined, a parent cell node is substituted by a new subgraph, i.e., a bunch with two cell nodes and three transition nodes. Such nested refinement process permits eventual unrefinement of the created bunch, i.e., the parent cell node is recreated and the previous stages can be easily reached. Unrefinement process can be understood in Figure 7, where right-hand side sub-graph is a bunch that regenerates its parent cell node represented in left-hand side. 11 Figure 7: Right-hand side sub-graph created after a refinement of left-hand side parent cell node. The opposite is accomplished in the unrefinement process. Such as Figure 7 depicts, there is a transition node that points to both children cell nodes created. This transition node is representatively located in the refined face of the triangle control volume. The other two transition nodes, which represent the other two control volume faces, point to only each one of the children cell nodes just refined. Such transition nodes indicate the refinement level of the control volume in relation to their neighbor control volumes. Figure 8 depicts examples of adaptive refinement using such scheme. 12 Figure 8: Examples of successive adaptive refinements using the proposed scheme. 8. Sierpinski curve Sierpinski curve is a well-known fractal space-filling curve. Sierpinski, in 1912, proved that the limit of the sequence given by curves in order of 1, 2, …, depict in Figure 9, is the curve that passes through each point in the unit square [0,1]x[0,1], or in a closed continuous surface. Figure 9: Circular lists formed by Sierpinski curve of orders 0 to 9, being a square the original format of the domain. Sierpinski curve in uniform successive refinement in equilateral triangles is depicts in Figure 10. Figure 10: Generator process of the Sierpinski curve through equilateral triangles. 13 9. Ordering the control volumes of the mesh Sierpinski curve is used for ordering the control volumes of the mesh. It is generated by a linked list. This refinement scheme by triangular control volumes permits straightforward update of the list in the insertion of refined cell nodes. An ordering scheme is necessary for numerical solution of the problem. An implicit formulation demands to solve a linear system and furnishes stability in the resolution. Therefore, linear-system solvers based on the minimization of functionals can be easily employed, such as Gradient Conjugate method, because the coefficient matrix of the linear system is symmetric and positive definite. Figure 11 depicts successive adaptive refinements in a quadrangular domain with triangular control volumes ordered by the modified Sierpinski curve. Figure 11: Successive adaptive refinements with quadrangular domain with control volumes ordered by modified Sierpinski curve in the right-hand side of each discretized domain in left-hand side. Figure 12 depicts other example of Sierpinski curve generation. If the domain shape is the left-hand side triangle of Figure 12, and the triangles are uniformly refined, the thirst level of refinement and ordering will be such as the right-hand side curve of Figure 12. Dividing control volumes by the median of the triangle from the biggest angle, and consequently, the mid-point of the biggest face, warrants a quality mesh. This scheme permits straightforward insertion in the list of mesh ordering. Figure 12: Sierpinski curve generation. Because triangular control volumes are adaptively refined, this work uses the modified space-filling curve of Sierpinski, proposed in 1912. Modification is that control volumes are adaptively refined and it can be used any kind of triangle shapes. Any arbitrary polygonal can be applied in the initial domain shape. Figure 13 depicts Sierpinski curve ordering scalene triangles. Figure 13: Sierpinski curve ordering scalene triangles. The same domain is adaptively refined and depicted in Figure 14. Figure 14 depicts examples of adaptive refinement of triangular control volumes ordered by modified Sierpinski curve. 14 Figure 14: Examples of adaptive refinement with scalene triangle control volumes. 10. Considerations This work proposes a triangular discretization based on FVM for solving PDE’s with unstructured meshes. Determination of dependent variable is in the centroids of the proper control volume, without requirements of creation of a simplex mesh. Required data for solving a PDE are stored in a graph data structure in the adaptive mesh refinement. Graph nodes are autonomous because parent nodes in the local refinement are not stored. This refinement process permits that the created bunch can be eventually unrefined and returned to its previous stage. This process is simple and straightforward. It is low computational cost and flexible in ordering the mesh and linking neighbor control volumes refined in different level in comparison to tree-based methods that use adaptive mesh refinement. This ordering scheme of the discretized mesh is a modified Sierpinski curve, which is generated by a linked list. It is a modified version of the well-known curve due to the adaptive mesh refinement and it permits using several kinds of triangles. The refinement scheme of triangular control volume proposed allows straightforward insertion in the linked list for mesh ordering. Additionally, linear-system solvers based on the minimization of functionals can be easily employed, such as Gradient Conjugate method, because the coefficient matrix of the linear system is symmetric and positive definite. Using a triangular unstructured mesh, this adaptive refinement scheme is more efficient than ALG because it requires less refinement to obtain the dependent variable value in an arbitrary point of the domain. This proposed scheme allows a better adaptation to problems with complex domains. Further, in a local refinement, the proposed scheme of dividing the triangular control volume in two new cell nodes permits more efficiency in the process of insertion in the linked list of mesh ordering, in comparison to ALG. Besides, the here proposed technique allows any shapes for the initial domain, such as, square, rectangles, any kind of triangles, i.e., arbitrary polygonal shapes. Each discretized problem is evaluated with its own features, and the most appropriate linear interpolation will be employed for the problem treated. Green-Gauss integration will be used to reconstruct the solution in respect to required gradients. Green-Gauss reconstruction has characteristics that it can be extended to a simplified leastsquare gradient reconstruction or some vertex-centered scheme for problems that numerical oscillation occurs or if the mesh can be distorted. This work is in its initial stage of analysis. Development of computational implementations with classical equations will demonstrate the efficiency of the new technique as well as its advantages in comparison to other numerical solution methods of PDE’s. Future research: - Using quadrangular control volumes seems to be straightforward. It can be tested the use of hybrid meshes using Sierpinski curve for mesh ordering; - In several theoretical and real problems, verify the step time in relation to CFL condition and verify stability and convergence analysis; - Parallelization of the methods for specific types of problems, which a large linear system is required to be solved; - Verify the three-dimensional model. A cell-centered control volume seems to be interesting, since Frink’s reconstruction is a well-developed proposal; - Voronoi-based scheme allows direct use of FVM basic formulation. The Delaunay triangulation could be generated in the first time step; and for each local simplex refinement, the entire mesh is not redesigned for each time step. In this case, Sierpinski curve would link vertices of the mesh, instead of control volume centroids; 15 - Median dual with specific numerical quadrature can allow stability and convergence analysis in the same way that is obtained in FEM, with the earlier study in relation to Sierpinski curve; - Simplified least-square gradient reconstruction is more appropriate for distorted meshes; - Use a higher order accuracy to avoid numerical oscillation: i) ENO/WENO for avoiding numerical oscillation in specific problems, when computational cost increasing is not priority; ii) Frink’s reconstruction is interesting because obtains higher order accuracy with little computational cost increase, besides, it is applied to cell-centered control volume approach in three-dimensional problems; iii) Verify limiters for MUSCL. 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