i CRWR Online Report 08-04 A Time-Centered Split for Implicit Discretization of Unsteady Advection Problems by Shipeng Fu, B.S.; M.S. and Ben R. Hodges, Ph.D. The University of Texas at Austin May 13, 2008 This document is available online via World Wide Web at http://www.crwr.utexas.edu/online.html ii Copyright by Shipeng Fu 2008 iii Acknowledgements I would like to begin by expressing my gratitude to my advisor Dr. Ben Hodges. I am thankful for his guidance and support, and I appreciate the freedom he has given me to explore and pursue my own research interests. I would also like to thank Dr. Graham Carey, Dr. Randall Charbeneau, Dr. Spyros Kinnas and Dr. Daene Mckinney for serving on my committee. The faculty members, facilities, and the world class program of EWRE have made my research possible. I am grateful to Dr. Kinnas and Dr. Carey for their input in the development of the numerical methods in this dissertation. I have gone to Dr. Liljestrand, Dr. Lawler and Dr. Kinnas many times for help and advice, and they have always been happy to help. I want to thank them for their encouragement and advice. I would like to thank Dr. Charbeneau for giving me the opportunity to work with lab experiments (so I could finally play with the real water!). I would like to thank Sharon Bernard, Marcy Betak, and Susan Swanson-Cartwright at the CRWR Office for helping with all my administrative paperwork and questions. During my Ph.D study at UT, my friends in Austin have been extremely helpful and supportive. I could not finish this without their friendship. I want to particularly thank Paula Kulis, Li-Jung Chen and their wonderful husbands for feeding me meals and listening to my whines. I also want to thank Paula for many discussions in fluid mechanics and beyond. I want to thank Yihsiang Yu and Vimal Vinayan for their insightful discussions on numerical methods and wave mechanics. I want to thank Becky Teasley and John Allen, Rebekah and Nate Johnson, and Jeremy Seibert for graciously reading and providing valuable feedbacks on my dissertation. I want to thank all my friends in EWRE and CRWR. Our lunch topic at CRWR is always intellectually stimulating, and sometimes wild. I also want to thank all the members in the BUSTED (Best Underpaid Students Turning into Environmental Doctors) club. I really benefited from the support from everyone. I will miss you girls. I want to thank my running buddy, Susan De Long, for many interesting discussions about Yoga and philosophy. I am thankful to my parents. I thank them for teaching me good values, and encouraging me to think independently since I was very young. My diligent father and curious mother have always been my role models and inspiration. My deepest thanks go to my best friend and husband, Yunzhi Yang. I am really fortunate to have such a wonderful life partner accompanying me for this journey. I want to thank him for truly understanding me, encouraging me to strive for excellence, and bringing life into perspective. iv Abstract Environmental flows (e.g. river and atmospheric flows) governed by the shallow water equations (SWE) are usually dominated by the advective mechanism over multiple time-scales. The combination of time dependency and nonlinear advection creates difficulties in the numerical solution of the SWE. A fully-implicit scheme is desirable because a relatively large time step may be used in a simulation. However, nonlinearity in a fully implicit method results in a system of nonlinear equations to be solved at each time step. To address this difficulty, a new method for implicit solution of unsteady nonlinear advection equations is developed in this research. This Time-Centered Split (TCS) method uses a nested application of the midpoint rule to computationally decouple advection terms in a temporally second-order accurate time-marching discretization. The method requires solution of only two sets of linear equations without an outer iteration, and is theoretically applicable to quadratically-nonlinear coupled equations for any number of variables. To explore its characteristics, the TCS algorithm is first applied to one- dimensional problems and compared to the conventional nonlinear solution methods. The temporal accuracy and practical stability of the method is confirmed using these 1D examples. It is shown that TCS can computationally linearize unsteady nonlinear advection problems without either 1) outer iteration or 2) calculation of the Jacobian. A family of the TCS method is created in one general form by introducing weighting factors to different terms. We prove both analytically and by examples that the value of the weighting factors does not affect the order of accuracy of the scheme. In addition, the TCS method can not only computationally linearize but also decouple an equation system of coupled variables using special combinations of weighting factors. Hence, the TCS method provides flexibilities and efficiency in applications. v Table of Contents List of Tables ........................................................................................................ vii List of Figures...................................................................................................... viii Chapter 1 Introduction .............................................................................................1 1.1 Background...............................................................................................1 1.2 Challenge and Motivation of the Numerical model..................................3 1.3 Objective...................................................................................................4 1.4 Approach...................................................................................................4 1.5 Broad Application.....................................................................................5 Chapter 2 Review of Finite Difference Schemes for Solving the Unsteady Nonlinear Advection in the Shallow Water Equations....................................................6 2.1 Explicit Method ........................................................................................6 2.2 Semi-Implicit Method...............................................................................7 2.3 Implicit Method ........................................................................................7 2.4 Summary.................................................................................................11 Chapter 3 Theoretical Development of the Time-Centered Split (TCS) Method..12 3.1 The Theory of Time-Centered Splitting .................................................12 3.2 Derivation of the TCS method in a 1D Advection-Diffusion Equation .16 3.3 TCS for Coupled Momentum and Scalar Transport...............................19 3.4 Summary.................................................................................................20 Chapter 4 Implementation of the TCS Method in 1D Problems ...........................22 4.1 Application of the TCS Method to the 1D Conservative Burgers? Equation ..............................................................................................................22 4.2 Applications of the TCS Method to the 1D Non-conservative Burgers? Equation ...............................................................................................42 4.3 Application of the TCS Method to a 1D Nonlinear Ordinary Differential Equation ...............................................................................................59 4.4 Summary.................................................................................................63 vi Chapter 5 The TCS Family Method.......................................................................65 5.1 Derivation of the TCS Family Method ...................................................65 5.2 Application of the TCS Family Method to the 1D Non-conservative Burgers? Equation ................................................................................68 5.3 Results and Discussion ...........................................................................70 5.4 Computational Decoupling .....................................................................78 5.5 Summary.................................................................................................81 Chapter 6 Application of the TCS Method to a 2D Depth Averaged Shallow Water Equations (SWE) ..........................................................................................83 6.1. The 2D Depth Averaged SWE...............................................................83 6.2 The TCS Discretized SWE .....................................................................84 6.3 Decoupling the SWE...............................................................................87 6.4 Characteristics of the TCS Decoupled Equation System........................89 6.5 Numerical Tests ......................................................................................91 6.6 Summary...............................................................................................109 Chapter 7 Conclusions and Recommendations....................................................110 7.1 Summary of Discussion ........................................................................110 7.2 Conclusions...........................................................................................113 7.3 Recommendations for Future Work......................................................113 Appendix A Test of a Progressive Wave in an Open Boundary System.............115 A.1 Initial and Inlet Boundary Condition ...................................................115 A.2 Outlet Boundary Condition..................................................................116 A.3 Results and Discussion.........................................................................119 References............................................................................................................124 vii List of Tables Table 5.1 The mathematical meaning of the value of 1 ? and 2 ? ...................................... 70 Table 5.2 Weighting factors for computational decoupling the 2D Burgers? equation.... 80 Table 6.1 Weighting factors and the solution orders for decoupled Equations (6.11) through (6.16). .......................................................................................................... 89 Table 6.2 Solution procedures of the three TCS discretizations....................................... 91 Table 6.3 Parameters of simulations of a 1D standing wave............................................ 93 Table 6.4 Parameters of simulations of the 2D standing wave......................................... 97 viii List of Figures Figure 1.1 Sulphur River (Texas) large woody debris at low-flow conditions .................. 2 Figure 4.1 Solution of 1D Burgers? equation evolving in time for t?{0, 0.1, 0.2, 0.3, 0.6, 1, 2, 3} using 0.05?= along with the initial and boundary conditions of Equations (4.43) through (4.45)................................................................................................. 34 Figure 4.2 Absolute error time evolution for numerical solutions of 1D conservative Burgers? equation for TCSF and TCSF-D using { t? =0.01, x? =1/50, ?=0.05}, where 50 abs model i analytical i i1 1 (t) u (x ,t) u (x ,t) 50 = ?= ? ? and analytical u (x, t) is numerically calculated from Equation (4.46) with K=30. ........................................................... 35 Figure 4.3 RMS ? vs. CFL number of various methods for solution of 1D conservative Burgers? equation with three different x? , where 0.05?= and t0.3/? =?with ??{50, 30, 25, 20, 10, 8, 5, 4, 2}............................................................................ 37 Figure 4.4 2 L norm vs. CFL number of various methods for solution of 1D conservative Burgers? equation with three different x? , where 0.05?= and t0.3/? =?with ??{50, 30, 25, 20, 10, 8, 5, 4, 2}............................................................................ 38 Figure 4.5 L ? norm vs. CFL number of various methods for solution of 1D conservative Burgers? equation with three different x? , where 0.05?= and t0.3/? =?with ??{50, 30, 25, 20, 10, 8, 5, 4, 2}............................................................................ 39 Figure 4.6 RMS ? vs. CFL number of TCSF, RK2 and RK4 methods for solution of 1D conservative Burgers? equation, where 0.05?= x? =1/50, and t0.3/? =?with ??{500, 200, 100, 80, 50, 30, 25, 20, 10, 8, 5}...................................................... 40 Figure 4.7 Ideal operations per grid point for one time step using various nonlinear solution methods for 1D conservative Burgers? equation. R is the number of outer iterations taken by Newton method. It is assumed that the Picard method convergences in R 2 outer iterations........................................................................... 42 Figure 4.8 Absolute error time evolution for numerical solutions of 1D non-conservative Burgers? equation for the TCSF and TCSG methods using { }t 0.01, x 1/ 50, 0.05?= ?= ?= where 50 abs model i analytical i i1 1 (t) u (x ,t) u (x ,t) 50 = ?= ? ? and analytical u(x,t) is numerically calculated from Equation (4.46) with K=30........ 54 ix Figure 4.9 RMS ? vs. CFL numbers of various methods for solution of 1D non- conservative Burgers? equation at different CFL numbers, where ?=0.05, x? =1/50 and t? =0.6/? with ? ?{50, 30, 25, 20, 10, 8, 5}.................................................. 55 Figure 4.10 2 L norm vs. CFL numbers of various methods for solution of 1D non- conservative Burgers? equation at different CFL numbers, where ?=0.05, x? =1/50 and t? =0.6/? with ? ?{50, 30, 25, 20, 10, 8, 5}.................................................. 56 Figure 4.11 L ? norm vs. CFL numbers of various methods for solution of 1D non- conservative Burgers? equation at different CFL numbers, where ?=0.05, x? =1/50 and t? =0.6/? with ? ?{50, 30, 25, 20, 10, 8, 5}.................................................. 57 Figure 4.12 Temporal accuracy of the TCS and RK methods for solution of 1D non- conservative Burgers? equation at different CFL numbers, where ?=0.05, x? =1/50 and t? =0.6/? with ? ?{500, 200, 100, 80, 50, 30, 25, 20, 10, 8, 5}.................... 58 Figure 4.13 Ideal operations per grid point for one time step using various nonlinear solution methods for 1D Non-conservative Burgers equation. R is the number of outer iterations taken by Newton method. It is assumed that the Picard method convergences in 2 R outer iterations.......................................................................... 59 Figure 4.14 Time evolution of absolute errors for TCS methods applied to the ODE, Equation (4.101), for t? =0.1, where abs model analytical (t) y (t) y (t)?= ? . .................... 62 Figure 4.15 RMS error from Equation (4.117) for discrete solutions of the ODE, Equation (4.101), computed using a range of ? time steps. .................................... 63 Figure 5.1 Temporal accuracy of various combinations of 1 ? and 2 ? for solution of the Burgers? equation at t=0.6, where x150/? = , 005.?= and t06./? =? ( { }5, 8, 10, 20, 25, 30, 50?? ).................................................................................. 72 Figure 5.2 Temporal accuracy of various combinations of 2 ? and 1 ? for solution of the Burgers? equation at t=0.6, where x150/? = , 005.?= and t06./? =? ( { }5, 8, 10, 20, 25, 30, 50?? ).................................................................................. 73 Figure 5.3 Temporal accuracy of various combinations of 2 ? and 1 ? for solution of the Burgers? equation at t=0.3, where x150/? = , 005.?= and t03? =?./ ( { }5, 8, 10, 20, 25, 30, 50?? ).................................................................................. 75 Figure 5.4 Temporal accuracy of various combinations of 2 ? and 1 ? for solution of the Burgers? equation at t=1, where x150? = / , 005?= . and t1? =?/ ( { }5, 8, 10, 20, 25, 30, 50?? ).................................................................................. 76 x Figure 5.5 Temporal accuracy of various combinations of 2 ? and 1 ? for solution of the Burgers? equation at t=2, where x150/? = , 005.?= and t2? =?/ ( { }5, 8, 10, 20, 25, 30, 50?? ).................................................................................. 77 Figure 6.1 Illustration of Arakawa C grid......................................................................... 85 Figure 6.2 A standing wave in a rectangular basin........................................................... 92 Figure 6.3 Simulations in the inviscid flow with different wave steepness...................... 94 Figure 6.4 Viscous damping effects in the shallow water model ..................................... 95 Figure 6.5 The initial 2D standing wave and its decomposed x and y direction 1D wave96 Figure 6.6 Computational domain (not to scale) .............................................................. 97 Figure 6.7 Normalized surface elevation contours in the computational domain at time 4T. ........................................................................................................................... 100 Figure 6.8 Normalized surface elevation contours in the computational domain at time 15T. ......................................................................................................................... 101 Figure 6.9 Normalized U-velocity contours in the computational domain at time 4T... 102 Figure 6.10 Normalized U-velocity contours in the computational domain at time 15T. ................................................................................................................................. 103 Figure 6.11 Normalized V-velocity contours in the computational domain at time 4T. 104 Figure 6.12 Normalized V-velocity contours in the computational domain at time 15T. ................................................................................................................................. 105 Figure 6.13 Surface displacement at points (0.5, 0) and (0, 0.5) simulated using three TCS solutions.......................................................................................................... 106 Figure 6.14 Snapshot of the standing wave at 0.5 T. The surface displacements at the two monitored points (0.5, 0) and (0, 0.5) are circled. .................................................. 107 Figure 6.15 Snapshot of the standing wave at 15 T. The surface displacements at the two monitored points (0.5, 0) and (0, 0.5) are circled. .................................................. 108 Figure A.1 Initial water level, H (x, 0), in the rectangular open channel ....................... 115 Figure A.2 Inlet boundary condition H (0, t).................................................................. 116 Figure A.3 Shape function of viscosity........................................................................... 117 Figure A.4 An open boundary rectangular channel with a sponge layer........................ 117 Figure A.5 Schematic illustrations of grids .................................................................... 118 Figure A.6 Water level at point A with/without the sponge layer.................................. 118 xi Figure A.7 Water level evolutions inside the test section and sponge layer................... 119 Figure A.8 Comparison of wave shape at time 7T and 14T for TCS solution1 and TCS solution 2 respectively ............................................................................................ 120 Figure A.9 Comparison of wave shape simulated from TCS solution 1 and 2 at time 7T and 14T respectively............................................................................................... 121 Figure A.10 Time evolution of a progressive wave at different wave periods from TCS solution 1................................................................................................................. 122 Figure A.11 Time evolution of a progressive wave at different wave periods from TCS solution 2................................................................................................................. 123 1 Chapter 1 Introduction Models of river flow using mathematic tools have been developed since last half century (Cao and Carling 2002). Various numerical river models have been created to study flood control (Dutta et al. 2007; Liao et al. 2007), water allocation (Fleckenstein et al. 2006; Luo 2007), sediment and morphological evolution (Giri and Shimizu 2006; Le et al. 2006) and so on. The river flow is usually modeled at a coarse-grid scale due to the limitations of the computational power (Dedong et al. 2007; Shaw et al. 2005; Thouvenin et al. 2007). However, there exist some particular river systems such as a river with many large woody debris (LWD), as shown in Figure 1.1. The flow information around LWD is at subgrid-scale, which can?t satisfactorily be modeled at the conventional coarse-grid. In addition, the river flow is often simulated using two-dimensional (2D) depth averaged shallow water equations (SWE) as the governing equations (Chen and Peng 2006; Nguyen et al. 2006; Weerakoon et al. 2003). However, the unsteadiness and the dominant advective mechanism of a river flow create difficulties in SWE based numerical simulation because of the combination of the ?stiffness? (i.e. the unsteady term) and ?nonlinearity? (i.e. the nonlinear advection term) in the momentum equations. Therefore, in this research, we develop a new numerical algorithm to address the difficulties in simulating the unsteady nonlinear advection. This numerical scheme can also serve as a platform to perform the new conceptual model which can integrate the subgrid-scale physics into a coarse-grid scale model. The detailed development of the conceptual model can be found in Fu and Hodges (2005). First, let us start with the background information of the LWD. 1.1 BACKGROUND Large woody debris (LWD) refers to woody material such as fallen tree trunks or root balls that become lodged in stream channels. Figure 1.1 gives an example of a river laden with large woody debris (LWD). The conventional size of LWD is diameters larger than 0.1 m and lengths greater than 1.0 m (Keller and Swanson 1979; Andrus et al. 1988). LWD accumulations have been historically called ?snags?, a pejorative term reflecting a perception of LWD as a nuisance to river navigation and efficient water use. River ?improvement? schemes typically involve removing LWD (Shields & Nunnaly 1984; Gippel 1995), to improve water conveyance, rejuvenate channels, lessen the risk of damage to bridges, improve recreational amenity, and remove barriers to fish migration (Harmon et al. 1986). However, from an ecological perspective, LWD provides a stable substratum for microorganisms, algae and invertebrates (Minshall 1984; Brown & May 2000; Statzner & Higler 1986). This, in turn, creates grater local productivity for higher trophic levels such as invertebrates and fish (Price & Lovett 2002). Furthermore, LWD enhances hydraulic diversity (i.e. a wide range of flow conditions), which in turn enhances diversity in fish habitat, e.g. providing low-velocity refuges sought by many fish species (Benke et al. 1985; Matthews & Hill 1980), and also providing cover from predators (Angermeier & Karr 1984, Everett & Ruiz, 1993), foraging habitat, and 2 spawning substratum - all of which vary dynamically with flow rate (Bao & Mathews 1991; Mathews & Tallent 1997; Marzolf 1978). In short, LWD creates greater habitat complexity (O?Conner 1991), which should produce greater biodiversity (Gerhard & Reich 2000). Figure 1.1 Sulphur River (Texas) large woody debris at low-flow conditions (Photo courtesy of Texas Water Development Board) Over the past two decades, a wide variety of studies demonstrate how woody debris may be a dominant player in aquatic habitat. Angermeier & Karr (1984) selectively modified a stream by inducing and removing woody debris, subsequently showing a greater abundance of fish and benthic invertebrates correlated with the introduced debris. Benke et al. (1985) examined a low-gradient stream, showing that only 4% of habitat surface was in LWD and yet this supported 60% of the invertebrate biomass and 16% of overall production. Similar results are noted in Benke et al. 1984 and Jacobi & Benke1991. Effects of flooding on fish movements and distribution (Hill & Grossman 1987; Harvey et al. 1999) have confirmed the importance of habitat complexity (including LWD) for population persistence. More subtle and indirect effects on habitat have been attributed to LWD?s modification of the flow field and water level (Triska & Cromack 1980; Sedell et al. 1982; Wallace & Benke 1984). Near LWD, reduced velocities allow retention of organic matter, building up ecologically-important debris dams, while water lever effects at high flow rates can influence the seed dispersal from riparian vegetation (Merritt & Wohl 2002). Studies drawing similar conclusions have been conducted over a variety of locales and river types, ranging from salmon spawning streams in Alaska (Dolloff 1986), low-gradient rivers in West Virginia (Lobb & Orth 1991) to an ephemeral river in Africa (Jacobson et al. 1999). The common theme is that LWD plays a varied and critical role in aquatic habitat for rivers and streams ? a role determined by the flow field near LWD. Moreover, water management agencies are 3 interested in including the effects of LWD in aquatic habitat assessments used for water resource allocations. The flow structure around LWD is very complicated and varied, which has been revealed by several previous field studies (e.g. Mutz 2000; Beebe 2001; Daniels & Rhoads 2003). Moreover, there is a large difference in scales between hydraulic processes and the critical ecological processes. Because of this scale difference, the small-scale flow heterogeneity (important to biota) is poorly represented in the channel- scale numerical models currently used for aquatic habitat analysis (e.g. Waddle 2001). To address this problem, a new conceptual model is proposed to integrate the subgrid-scale physics into a coarse-grid scale model (Fu and Hodges, 2005). 1.2 CHALLENGE AND MOTIVATION OF THE NUMERICAL MODEL In addition to the scale difference, another challenge for solving the river flow with LWD is to build a numerical model to simulate the unsteady river flow. River flow is usually characterized as shallow-water flow. As shown in Figure 1.1, the flow around LWD is indeed shallow as most of the LWD are exposed out of the water surface. This kind of river system is usually modeled by 2D depth averaged shallow water equations (SWE) (Arega et al. 2008; Burguete et al. 2006; Gejadze and Monnier 2007). 2D depth averaged SWE can be obtained by integrating the Navier-Stokes equation over the water depth with the underlying hydrostatic assumption. One of the difficulties in solving SWE numerically is the combination of the ?stiffness? (i.e. the unsteady term) and ?nonlinearity? (i.e. the nonlinear advection term) in the momentum equations. Numerous finite-difference numerical models for solving SWE have been developed over the past several decades. Among these developed numerical models, explicit and semi-implicit schemes are the most widely used. For example, in the atmospheric or weather research community, explicit methods such as Leapfrog and Lax-Wendroff-type are the most popular ones (Mendez-Nunez and Carroll 1993). Casulli (Casulli 1990) proposed a semi- implicit scheme, on which a number of variations are based. A common property for both the explicit and semi-implicit methods is that they explicitly discretize the advection term. Hence, the nonlinearity does not arise in an explicit or a semi-implicit sachem. However, their stability is restricted by the Courant-Friedrichs-Lewy (CFL) condition because of the explicitness. A fully implicit scheme is desirable because we can use a relative large time step in the simulation. A fully implicit solution for an unsteady nonlinear advection problem involves solving a system of nonlinear equation at each step. The conventional techniques for solving a system of nonlinear equations require either 1) iterations of root-finding procedure or/and 2) calculations of the Jacobian. These two processes make a fully implicit solution more complex and computationally expensive. These motivate this research to develop a new implicit scheme to solve unsteady nonlinear advection problems. 4 1.3 OBJECTIVE The primary objective of this research is: Develop a new implicit solution for unsteady nonlinear advection problems. The new numerical algorithm should have the advantage in both stability and efficiency while keeping the 2 nd -order temporal accuracy as in most existing SWE models. In addition, this new method would provide a novel approach in decoupling a coupled equation system. 1.4 APPROACH To achieve the objective of this research, several steps need to be taken to guide this study. The major steps are as follows: Literature review ? Review current finite-difference models for the 2D depth averaged SWE. ? Examine how the nonlinear advection term is treated in different temporal discretizations. ? Review the merits and limitations of the existing models. This part of the dissertation work is presented in Chapter 2. Analytical development of the new numerical algorithm Illustrate the theoretical principle and concept of the new algorithm. This part of the dissertation work is presented in Chapter 3. Verify the new method using 1D test case ? Test the new algorithm using a 1D PDE with time dependent nonlinear advection term. ? Test the new algorithm using 1D ordinary differential equation (ODE). ? Explore the characteristics of the method in accuracy, stability and efficiency. This part of the dissertation work can be found in Chapter 4. Verify the new method using a multi-variable and multi-dimensional problem ? Theoretically develop the new algorithm in multi-variable and multi- dimensional problems. ? Demonstrate and analyze the decoupling process of the new method. ? Conduct initial test cases of the numerical algorithm in 2D depth averaged SWE. This work can be found in Chapter 5 and Chapter 6. 5 1.5 BROAD APPLICATION The initial motivation and application for this research is simulating a river flow with LWD. The newly developed numerical algorithm for solving unsteady nonlinear advection problems is not limited only in simulating river flows. In most of the environmental flows such as atmospheric flow, ocean circulation, storm surge and etc., advection is the dominant mechanism and we are often interested in simulating these flows with a range of different time scales. Therefore, the difficulties arising from the combination of the unsteadiness and nonlinear advection exist in modeling many types of environmental flows. This new numerical method provides a new approach to address this difficulty in these and many other research areas. 6 Chapter 2 Review of Finite Difference Schemes for Solving the Unsteady Nonlinear Advection in the Shallow Water Equations Environmental flows (e.g. river and atmospheric flows) governed by the SWE are usually dominated by the advective mechanism over multiple time-scales (Vreugdenhil 1994). The combination of time dependency and nonlinear advection creates difficulties in the numerical solution of the shallow water equations (SWE) (Bourchtein and Bourchtein 2006). To address this difficulty, numerous numerical schemes have been developed over the past several decades. Iskandarani et al (2005) reviewed the finite element/finite volume methods in solving advection equations. More reviews about finite element methods can be found in the article by Thomee (2001). The research herein focuses on developing a finite difference algorithm for solving unsteady nonlinear advection problems. To review the existing finite difference techniques, we first classify time-marching algorithms into three categories: explicit, semi-implicit and implicit methods. In the explicit and semi-implicit methods, the nonlinear advection terms are treated explicitly. Hence, the issue of solving a nonlinear matrix inversion does not arise in these two temporal discretizations. However, to solve a fully-implicit system, different computational linearization methods are required treat the nonlinearity, so that the inversion of a nonlinear matrix can be obtained. Therefore, we briefly review the explicit and semi-implicit models for solving the SWE and examine different linearization approaches in the implicit system. Comparisons among different existing methods are summarized in the last section of this chapter. 2.1 EXPLICIT METHOD Fully explicit methods are popular in atmospheric or weather research community. The most widely used explicit methods in atmospheric research are Leapfrog and Lax-wendroff-type schemes (Mendez-Nunez and Carroll 1993). The Leapfrog method is a one-step method, requiring two time levels of known values to compute an unknown level. Modifications of the Leapfrog methods are used in simulating ocean circulation (Cho and Yoon 1998; Fujima and Shigemura 2000). The Lax-Wendroff-type method is a two-step Predictor-Corrector method. One of the popular variations of the Lax-wendroff scheme is developed by MacCormack (1969). The MacCormack scheme is extended to many research areas such as aerospace engineering (Hirose et al. 1991; Kurbatskii and Mankbadi 2004) and hydrological science in simulating free surface flow (Fennema and Chaudhry 1990; Garcia and Kahawita 1986; Kazezy?lmaz-Alhana et al. 2005; Keshari and Koo 2007; Li and Jackson 2007), groundwater flow (Keshari and Koo 2007) and dam-break shock wave (Li and Jackson 2007). Another commonly used explicit Predictor-Corrector method is the Runge-Kutta method (Delis and Katsaounis 2005; Zhou et al. 2007). The Leapfrog and the two-step Predictor-Corrector methods can maintain 2 nd -order temporal accuracy. Although simpler explicit schemes such as 7 forward-time scheme is also used in solving SWE (Murillo et al. 2008), it can only maintain 1 st -order temporal accuracy. Explicit schemes are straightforward and easy to implement. Nonlinear advective terms in partial differential equations (PDE) are readily-computed from known time- levels using fully-explicit time-marching methods. However, the implementations of explicit methods are restricted by stability requirements. Runge-Kutta and MacCormack methods typically require an excessively small time step to satisfy the Courant- Friedrichs-Lewy (CFL) condition(Mendez-Nunez and Carroll 1993); the Leapfrog approach must be applied with appropriate numerical strategies such as alternate time levels of the solution (Agoshkov et al. 1994; Peyret and Taylor 1983; Zhou 2002) or sophisticated mode-splitting (e.g.Blumberg and Mellor 1987). 2.2 SEMI-IMPLICIT METHOD Semi-implicit methods have been developed and widely used in temporal discretized SWE. In most semi-implicit methods, the nonlinear advection terms are discretized explicitly (Bonaventura and Rosatti 2002; Bourchtein and Bourchtein 2007; Casulli 1990; Casulli and Cattani 1994; Casulli and Cheng 1992; Kar 2006; Spitaleri and Corinaldesi 1997) so that the issue of solving a nonlinear matrix inversion does not arise. For instance, Environmental Fluid Dynamics Computer code (EFDC) uses a three-level semi-implicit method, in which advection terms are explicitly discretized using upwind scheme. As a result, the stability is constrained by the explicit advection terms (Hamrick 1992). Some other models (Kar 2006) use the explicit Runge-Kutta method to calculate the advection term. It is obvious that the stability of this treatment is constrained by the CFL number. To overcome the stability constraint, different numerical treatments are introduced to calculate the linearized advection term. One of the most widely used techniques is the semi-Lagrangian method (Cullen 2001; Rosatti et al. 2005). Casulli (Casulli 1990; Casulli and Cattani 1994; Casulli and Cheng 1992) used this method in UnTRIM and the earlier version, TRIM. Some latest models including ELCIRC (Zhang et al. 2004) and ELCOM(Hodges 2000) followed this idea. Although Casulli?s approach has been successful and stable, its accuracy is relatively poor (Hodges, 2004). The main advantage of the semi-Lagrangian method is that the stability is not constrained by the CFL condition (Barros and Garcia 2007). However, a set of trajectory equations need to be solved at each time step and the maximum allowable time step is restricted by the convergence criteria of the iteration of the trajectory equations (Bourchtein and Bourchtein 2007). 2.3 IMPLICIT METHOD An obvious advantage of a fully-implicit method is that the time step is not restricted by the CFL number. Various fully-implicit finite difference schemes have been developed. Steppeler (2006) solved a fully implicit, SWE based meteorological model using the Fourier transformation method at each grid point and each time step. Some 8 researchers derived a fully-implicit scheme based on Alternating Direction Implicit (ADI) method (Szymkiewicz 1992; Wilders et al. 1988). Yuan and Wu solved implicit Navier- Stokes equations using a staggered finite difference Crank-Nicolson scheme (Yuan and Wu 2004). Burguete and Garcia-Navarro (Burguete and Garcia-Navarro 2004) implemented a first order upwind implicit scheme to simulate river hydraulics problem. Although the fully-implicit methods are more accurate and robust, they are less common, possibly due to computational complexity and expense (Turek 1996). Nonlinearity in a fully-implicit method results in a system of nonlinear algebraic equations to be solved at each time step. Existing strategies for solving implicit nonlinear equations include iterative and non-iterative methods (Moin 2001). In the following, we will review the conventional techniques for implicit nonlinear solutions. The Newton method and Picard method (Ferziger and Peric 1999; Lehmann and Ackerer 1998; Paniconi et al. 1991) are the most widely used two-level iterative techniques for implicit time-marching of nonlinear equations. For steady-state nonlinear problems, Newton and Picard iterative algorithms have proven quite successful (Paniconi and Putti 1994). These methods may be thought of as successive linear solutions of =Ax b % , where A % is an approximation of A that is iteratively refined to solve the nonlinear problem. However, for time-evolving CFD problems, each time-marching step using the Newton or Picard method requires an outer iteration applied over an inner solution of a linear equation set. When the inner problem also requires an iterative solution (as is common in CFD), the time march for this doubly-iterative approach is computationally expensive. The principal differences between the Picard and Newton methods are that the former is easier to implement and requires fewer computations per outer iteration but has only 1st-order convergence, whereas the latter is more difficult to implement but provides 2nd-order convergence. Thus, which method is appropriate depends upon the difficulty in implementing the Newton method compared to the slower convergence of the Picard method. A further implicit technique, local linearization, has not been widely used in CFD but does provide time-marching with 2nd-order accuracy (Lomax et al. 1999) without an outer iteration. By providing a single linear approximation of the nonlinear problem, local linearization side-steps the convergence issue of the outer iteration for Newton/Picard techniques. However, local linearization requires discretization of the Jacobian, which is often difficult to derive and implement for typical CFD applications. To better illustrate these existing implicit linearization methods, we use a simple scalar ODE with a quadratic nonlinearity as an example. The nonlinear ODE is written as d f( ,t) dt ? = ? (2.1) Using a finite-difference Crank-Nicolson discretization (the simplest 2 nd -order implicit method), the above can be approximated as ()(){}() n1 n n1 n 3 t ff t 2 ++ ? ?=?+ ? +?+?O (2.2) 9 where superscripts indicate the discrete time step and ( ) n1 f + ? implies a quadratic nonlinear relationship in n1+ ? (e.g. n1+ ? n1+ ? or n1 x + ? n1+ ? ). Equation (2.2) is our example of an implicit nonlinear equation. In the following, we will demonstrate the principles of existing techniques to linearize Equation (2.2) computationally. 2.3.1 Newton methods The Newton method is one kind of root-finding algorithm. It starts with an initial guess and iteratively estimates the root of the function. The Newton method can be derived from a Taylor series expansion or a geometric proof (Amat et al. 2003). One of the advantages of the Newton method is that it can be applied to equation systems with complex nonlinearities and keeps the quadratic convergence rate. In petroleum engineering and other research areas concerning flow through porous media, the Newton method is a standard approach because of the complex nonlinearities (Cao and Sun 2005; Dettmer and Peric 2007; Kwok and Tchelepi 2007). Using the Newton method, the linearized equation system of Equation (2.2) can be written as ()() ( ) k n1 k1 k n1 n1 k n1 g g + + ++ + ? ? ? ? ? ?=?? ??? ?? ?? ?? (2.3) where the outer superscript indicates the iteration number and () ()( ){} n1 n1 n n n1 t gff 2 ++ + ? ?=???? ?+? (2.4) In general, we can use the value at the previous time step as the value at the first iteration, which means ( ) 1 n1 n+ ? =? (2.5) Equation (2.3) is solved repeatedly until the difference between two successive iterations satisfies the pre-defined convergence criteria. In Equation (2.3), a first order derivative () n1 g/ + ??? must be calculated and updated at each iteration. If ?is a vector and discretized in space, the resulting ( ) n1 g/ + ??? is a matrix and called the Jacobian of the linearized equation system. However, the Jacobian matrix may be computationally expensive and difficult to calculate analytically (Ferziger and Peric 1999; Niet et al. 2007). A number of approaches have been proposed to modify Newton method. For example, it can be modified with a Chebyshev approximation to accelerate the convergence (Bagatur 2007). To simplify the Newton method, much research has been carried out to simplify the calculation of the Jacobian matrix. Niet et al. (2007) evaluated the Jacobian matrix using a partial-analytical and partial-numerical technique in an ocean-climate model. Li (1993) attempted to reduce the effort to compute the derivatives. 10 A Jacobian-free Newton-Krylov (JFNK) method has been developed recently to solve nonlinear equation systems (Brown and Saad 1990; Chan and Jackson 1984; Knoll and Keyes 2004; Mousseau et al. 2002; Reisner et al. 2005; Wubs et al. 2006). The key to JFNK solver is approximating the Jacobian-vector product iteratively instead of evaluating each element of the Jacobian matrix. Although all these modifications reduce the computation effort of Jacobian, inconvenient iteration still remains in the Newton method. 2.3.2 Picard Iteration The Picard iteration is more straightforward than the Newton method. In the Picard iteration, the previous outer iteration value, ( ) k n1+ ? , is substituted for n1+ ? on the RHS of Equation (2.2), resulting in () () ( ) { } k1 k n1 n n n1 t ff 2 + ++ ? ? ? ?=?+?+? ? ? ? ? (2.6) As in the Newton iteration, Equation (2.6) is solved repeatedly until the difference between two successive iterations satisfies pre-defined convergence criteria. The same initial condition, Equation (2.5) is used to start the solution. Due to the simplicity, Picard iteration has been widely used in fully implicit nonlinear solver in Computational Fluid Dynamics (CFD)(Clement et al. 1994; Kwag 2000; Webster 2007). Different modifications of the Picard method have been reported in the literature. For example, Celia et al.(1987) proposed a modified Picard iteration that is a combination of Picard iteration and Newton iteration. However, this and other modified Picard methods remain linearly convergent (Lehmann and Ackerer 1998). A detailed comparison of the Picard and Newton methods is provided by Paniconi and Putti (1994). In general, Newton methods require more computations per iteration, but converge more rapidly (quadratic) than Picard methods (linear). However, for advection equations, the overall computational cost of Newton methods is typically greater than Picard methods because of the computational cost of the Jacobian (Ferziger and Peric 1999). 2.3.2 Local linearization In contrast to the above-mentioned Newton and Picard methods, local linearization is a non-iterative method. Let?s first review the derivation of the local linearization techniques, which are based on a Taylor-series expansion for n1 f + about n t in Equation (2.2). The following derivation is based on Lomax et al.(1999), () n n n1 n 2 ff ff t t t + ???? ?? =+?? +? +? ???? ?? ? ?? ?? O (2.7) 11 where n1 n+ ??=? ?? . For advection equations, f is generally not an explicit function of t, so () n tf/t??? in Equation (2.7) is zero. Substituting Equation (2.7) into Equation (2.2) provides () n n1 n n n 3 tf fft 2 O + ?? ?????? ?=?+ +?? + +? ?? ?? ?? ?? ?? (2.8) which is equivalent to n n tf 1tf 2 ?? ???? ? ??=??? ?? ?? ?? ?? (2.9) Equation (2.9) is a linear second-order discrete form of the original nonlinear ODE and can be solved by any number of standard techniques once () n f/? ?? is explicitly computed. However, as in the Newton method, the evaluation of the Jacobian () n f/??? complicates the overall computation. 2.4 SUMMARY SWE is widely used in simulating environmental flows. Mathematically, the stiffness and nonlinear advection increases the difficulty in the numerical solutions of SWE. Explicit methods can easily solve the nonlinearity but are restricted by the CFL stability criteria. Semi-implicit methods treat the advection term explicitly but need additional numerical treatment such as the semi-Lagrangian method to calculate advection terms for a higher CFL number. A fully implicit method is desirable but requires further computational linearization to solve a nonlinear system of equations. Existing implicit linearization techniques (including Newton, Picard and local linearization methods) require either 1) additional explicit derivative evaluations to provide an approximate linear problem, or 2) an outer iteration that converges an inner approximate linear problem. These two characteristics make implicit systems complex and expensive to solve. To address the nonlinearity in a fully implicit system, in the next chapter we propose a new computational linearization method that can linearize the nonlinear advection term without either 1) the outer iteration or 2) computation of the Jacobian. 12 Chapter 3 Theoretical Development of the Time-Centered Split (TCS) Method In Chapter 2 we reviewed the current implicit linearization methods that require either an outer iteration or a computation of the Jacobian. In this chapter, we develop a new method that is similar to local linearization in that it allows non-iterative discretization of a temporally 2 nd -order approximation of the nonlinear equation set. Instead of requiring the Jacobian, the new method splits the time-marching nonlinear problem into two sets of linear problems that are solved in succession. The new method has both the computational efficiency of a non-iterative local linearization method and the implementation simplicity of a Picard iterative method. We call this the Time- Centered-Split (TCS) method. The theory of the TCS method is first derived using a generic single variable nonlinear equation in this chapter. The TCS method can generate different discrete forms by introducing the time-centered split to different terms. This advantage is demonstrated by applying the TCS method to a 1D advection-diffusion equation (Burgers? equation). Four different TCS formats such as TCSF (split the flux term), TCSG (split the gradient term), TCSF-D (split the flux and diffusion terms) and TCSG-D (split the gradient and the diffusion terms) are derived and presented for the 1D Burgers? equation. One of the key advantages of the TCS method is that it provides non-iterative coupling between multiple variables. A 1D coupled advection diffusion equation and scalar transport equation are used as an example to illustrate this advantage. A summary of the principles of the TCS method and its advantages are provided in the last section. 3.1 THE THEORY OF TIME-CENTERED SPLITTING 3.1.1 Computational Splitting of the Nonlinear Term The TCS method is based on a nested application of the midpoint rule (i.e. a centered-time approximation). Midpoint rule discretizations are often used for time- marching to obtain second-order temporal accuracy (Ferziger and Peric 1999). A common approach for nonlinear time-marching in meteorology and oceanography is application of the midpoint rule in an explicit formulation known as the 3-level Leapfrog method (Dubois et al. 2005; Fujima and Shigemura 2000). The explicit Leapfrog method can be written as ( ) n1 n1 n n n 3 f2tt +? ?=?+????+?,O() (3.1) where superscripts represent time levels and t? is the model time step. Equation (3.1) can be seen as a generic form of a nonlinear equation. The function f is a linear operator of ?? and ?. Inside the function f, the product term ?? represents a generic quadratic nonlinear term. This quadratic nonlinear term in a flow and transport problem is of the 13 interest in this research. To develop the TCS method, we note that in the same vein as Equation (3.1), the midpoint rule can be written across only two time levels as ( ) n1 n n12 n12 n12 3 ftt ++++ ?=?+? ? ? ?+? // / ,O() (3.2) Equation (3.2) has the desirable property that the time n+1/2 information is retained only within the computation of the n to n+1 time step so that the advance is not leapfrogging over alternating data. By introducing a time-centered linear approximation of ( ) ( ) n1/2 n n1 2 /2 tO ++ ?=?+? +? (3.3) in one part of the nonlinear product n 1/2 n 1/2++ ??in Equation (3.2), the discrete equation becomes computationally linear in time (i.e. no products with the same time level): () nn1 n1 n 2 n12 n12 3 fOt tt 2 + +++ ?? ???+? ?=?+ +? ? ? ?+? ?? ?? ???? // ,O() (3.4) Reorganizing Equation (3.4) provides ()() n1 n n n12 n12 n1 n12 n12 3 tt ff t 22 +++++ ? ? ?=?+?? ? +?? ? +? // // ,,O() (3.5) Equation (3.5) is computationally split into two steps and an intermediate variable * ? is defined as, () * n n n 1/2 n 1/2 t f, 2 ++ ? ?=?+ ?? ? (3.6) Subtracting Equation (3.6) from Equation (3.5) provides () n1 n1 n12 n12 3 t ft 2 ++++ ? ?=?+?? ? +? *// ,O() (3.7) After introducing the above time-centered split, Equations (3.6) and (3.7) are both computationally linear. Furthermore, Equation (3.6) is similar to the implicit Euler approximation of n1/2+ ? written as: () 2 n12 n n12 n12 n12 tt f 22 //// ,O ++++ ? ? ?? ?=?+??? + ?? ?? (3.8) Using the Taylor expansion, n1/2+ ? can be expanded as: 2 n12 n t tt 22 / O + ?? ?? ?=?+?+ ?? ?? (3.9) Substituting Equation (3.9) into the nonlinear term of Equation (3.8), provides 2 n12 n n n12 n12 ttt f 22 /// O,O +++ ????? ?? ?? ?? ?=?+?+ ?? + ?? ?? ?? ?? ?? ?? ???? (3.10) Grouping the higher order terms, 14 () 2 n12 n n n12 n12 tt f 22 /// ,O +++ ? ? ?? ?=?+??? + ?? ?? (3.11) Substituting Equation (3.6) into Equation (3.11), results in 2 n12 t 2 + ? ?? ?=?+ ?? ?? /* O (3.12) Substitution of Equation (3.12) into Equations (3.6) and (3.7) provides a two-step method () nn 3 t ft 2 ? ?=?+ ??? + ? *** ,O() (3.13) () n1 n1 3 t ft 2 ++ ? ?=?+??? +? *** ,O() (3.14) Equations (3.13) and (3.14) are a computationally linearized implicit equation system. The summation of Equations (3.13) and (3.14) is a 2 nd -order computational equivalent of Equation (3.2). Remark: Although the derivation above provides a two-step direct linearization method, an outer iteration might also be combined for a big t? value. This process can be illustrated as the following: 1. obtain n1+ ? from Equations (3.13) and (3.14). 2. calculate n1/2+ ? using ( ) n1 n /2 + ?+? , where n1+ ? is calculated from step 1. 3. calculate a new n1+ ? using Equations (3.13) and (3.14) with the updated n1/2+ ? in step 2. Repeat the procedure until the difference between the old and new n1+ ? is acceptable. 3.1.2 Computationally Splitting the Linear Term In the previous section, we introduced time-centered split only into the nonlinear term of ??. In addition to splitting the nonlinear product term, one can also use the same splitting idea in the linear term?, following () () nn1 nn1 n1 n 2 n12 2 3 ft tt(t) 22 / O,O O ++ ++ ?? ?????+? ?+? ?=?+ +? ? +? ?+? ?? ???? ?????? (3.15) Equation (3.15) is guaranteed 2 nd -order accurate in time because of Equation (3.3). Reorganizing Equation (3.15) and grouping the higher order terms, 15 {} n1 n n n12 n1 n12 n n1 3 t f() 2 // ,,, O ++++ ? ?=?+?? ?? ?? +? (3.16) In Equation (3.16), not only the nonlinear term but also the linear term is split into two parts. Therefore, a different intermediate variable * ? is defined as () *n nn1/2n t f, 2 + ? ?=?+ ?? ? (3.17) The second step of the splitting system then becomes, () n1 * n1 n1/2 n1 t f, 2 ++++ ? ?=?+?? ? (3.18) Equations (3.17) and (3.18) are different from the split system in the previous section. As a result, the correspondence between * ? and n12/+ ? is proved differently. Instead of the implicit Euler equation, the explicit Euler approximation for n12/+ ? is introduced, () 2 n12 n n n n tt f 22 / ,O + ?? ?? ?=?+??? + ?? ?? (3.19) Substituting the Taylor expansion of n12/+ ? into Equation (3.17) and grouping the higher order terms, () 2 *n nnn tt f, O 22 ?? ?? ?=?+ ??? + ?? ?? (3.20) Substituting Equation (3.20) into Equation (3.19), we obtain 2 n12 t 2 + ? ?? ?=?+ ?? ?? /* O (3.21) Thus, we can use * ? to replace n12/+ ? in Equations (3.17) and (3.18). A different set of computationally linearized two-step equations can be written as: () *n n*n t f, 2 ? ?=?+ ??? (3.22) () n1 * n1 * n1 t f, 2 +++ ? ?=?+??? (3.23) The key to the TCS method is the second-order time-splitting of quadratic nonlinear terms to two different time levels, i.e. n* ? ? and n1 *+ ? ? . The result is discretely linear in any time-level of information. A further application of the same splitting in the linear terms will give another set of discrete linearized equations. The above derivation for the single variable ? can be readily extended to a vector of variables, 12 N [ , ,... ]?? ? , or variables and linear operators, e.g. 112 2N 2 [ ,L( ), ,L( )... ,L( )]? ?? ? ? ? . However, as additional variables (or operators) are introduced, the discretization method has multiple implementations. For example, even with a 1D advection diffusion equation, we can 16 obtain at least four different TCS discrete formats. In the next section, we will present these four different TCS formats by applying the TCS method to a 1D Burgers? equation. 3.2 DERIVATION OF THE TCS METHOD IN A 1D ADVECTION-DIFFUSION EQUATION The Burgers? equation is the simplest advection-diffusion test case and can be viewed as a prototype of the Navier-Stokes equation or the SWE. The non-conservative Burgers? equation can be written as: 2 2 uu u u txx ? ?? +=? ? ?? (3.24) To develop the TCS method, we note that in the same vein as Equation (3.7), the midpoint rule can be written across only two time levels as ()( ) n1 n n12 n12 2 n12 3 xx uu u u u t t // / O ++++ =+? ? +?? ?+? (3.25) where x ? is the shorthand notation of the generic discretized spatial derivative of ?u?. 3.2.1 The TCSF Discrete Format The nonlinear advection term in Equation (3.24) is constructed by the flux part ?u? and the gradient part, ? ux/???. The time-centered splitting maybe applied to either part of the advection term. We first introduce a time-centered linear approximation of ( ) ( ) n1/2 n n1 2 uuu/2tO ++ =+ +? to the flux term in the nonlinear product in Equation (3.25). The discrete equation becomes computationally linear in time (i.e. no products with the same time level): () n1 n n1 n n12 2 n12 3 xx uu uu u u t t 2 // O + +++ ?? ??+ =+? ? +?? ?+? ?? ?? ???? (3.26) Multiplying the products in Equation (3.26) provides ()()()() n1 n n1 n1/2 n n1/2 2 n1/2 3 xxx tt uu uu uu u tOt 22 +++ + + ? ? =+?? +?? +?? ?+? (3.27) A computational-splitting technique is used to obtain a numerically-solvable set of equations from the discrete form of Equation (3.27). Defining a generic intermediate variable * u as ()() n n n12 2 n12 xx tt uu uu u 22 *//++ ? ? =+?? +?? (3.28) and subtracting Equation (3.28) from Equation (3.27) provides ()()() n1 n1 n12 2 n12 3 xx tt uu uu u t 22 */ / O +++ + ? ? =+?? +?? +? (3.29) 17 Using an implicit Euler approximation of n12 u /+ and the same mathematical derivation as in Equation (3.12), we can prove 2 n1/2 * t uu 4 O + ??? =+ ?? ?? (3.30) Substitution of Equation (3.30) into Equations (3.28) and (3.29) provides a two-step method, which is called the TCSF method: {} nn2 xx t uu uu u 2 *** ? =+ ??+?? (3.31) {}() n1 n1 2 3 xx t uu uu u t 2 *** O ++ ? =+ ??+?? +? (3.32) The summation of Equations (3.31) and (3.32) is equivalent to the original Equation (3.25). The first step is an implicit solution for the variable u * involving only n u and with an implicit discretization of the diffusion term. n1 u + in the second step can be explicitly calculated. 3.2.2 The TCSG Discrete Format Splitting the gradient term instead of the flux term in Equation (3.25) results in a second basic form of TCS. Thus, instead of Equation (3.26), we obtain n1 n n1 n n1/2 2 n1/2 3 xx uu uu u u t(t) 2 O + ++ + ?? ??+ =+? ? +?? ?+? ?? ?? ???? (3.33) For this second form, we define a slightly different intermediate variable as ()() * n n1/2 n 2 n1/2 xx tt uu u u u 22 ++ ? ? =+? ? +?? (3.34) Similarly in Equation (3.30), we have 2 n1/2 * t uu 4 O + ??? =+ ?? ?? (3.35) Subtracting Equation (3.34) from (3.33) and substituting Equation (3.35) in the same manner as the transition from Equation (3.27) through (3.32), we obtain a second discrete split form that we will call TCSG {} *n *n 2* xx t uu uu u 2 ? =+ ??+?? (3.36) {} n1 * * n1 2 * xx t uu uu u 2 ++ ? =+ ?? +?? (3.37) The summation of Equations (3.36) and (3.37) is equivalent to the original Equation (3.25). The first step is an implicit solution for the variable u * involving n u and with an 18 implicit discretization of the diffusion term. The second step is an implicit solution for the variable n1 u + involving only u * and with an explicit discretization of the diffusion term. 3.2.3 The TCSF-D Discrete Format The TCSF and TCSG forms are obtained by introducing the time-centered split into the advection term. Further approximation of the diffusion term using the same time splitting techniques will create different discretizations. For instance, in Equation (3.26), we can substitute the time splitting into both the flux and diffusion terms, () n1 n n1 n n1 n n12 2 3 xx uu uu uu u t t 22 / O ++ ++ ?? ?? ?? =+? ? +?? ?+? ?? ?? ?? ?? ???? (3.38) Defining u * as, ()() nnn12 2n xx tt uu uu u 22 */+ ? ? =+?? +?? (3.39) the second step follows as, ()()() n1 n1 n12 2 n1 3 xx tt uu uu u t 22 */ O +++ + ? ? =+?? +?? +? (3.40) Using an explicit Euler approximation of n12 u /+ and the same mathematical derivation as in Equation (3.21), we can prove that 2 n1/2 * t uu 4 O + ??? =+ ?? ?? (3.41) Substituting Equation (3.30) into Equations (3.39) and (3.40), we obtained the TCSF-D format as {} nn2n xx t uu uu u 2 ** ? =+ ??+?? (3.42) {}() n1 n1 2 n1 3 xx t uu uu u t 2 ** O +++ ? =+ ??+?? +? (3.43) We call Equations (3.42) and (3.43) the TCSF-D method because we apply the time- centered splitting to both the flux term and the diffusion term. The summation of Equations (3.42) and (3.43) is equivalent to the original Equation (3.25). The first step is an implicit solution for the variable u * involving n u and with an explicit discretization of the diffusion term. The second step is an implicit solution for the variable n1 u + involving only u * and with an implicit discretization of the diffusion term. 19 3.2.4 The TCSG-D Discrete Format Similar to the development of the TCSF-D method, substitution of time-centered splitting into the diffusion term in the TCSG provides another set of two-step equations as {} *n *n 2n xx t uu uu u 2 ? =+ ??+?? (3.44) {} n1 * * n1 2 n1 xx t uu uu u 2 +++ ? =+ ?? +?? (3.45) Equations (3.44) and (3.45) are called the TCSG-D discrete form. The summation of Equations (3.44) and (3.45) is equivalent to the original Equation (3.25). u * in the first step can be explicitly calculated and the diffusion term is explicitly discretized. The second step is an implicit solution for the variable n1 u + involving only u * and with an implicit discretization of the diffusion term. We have derived four discrete forms of the TCS method applied to a 1D Burgers? equation in the previous sections. More possible discretizations will be generated when we apply the TCS method to an equation system with multiple variables. We will discuss this characteristic in Chapter 5. 3.3 TCS FOR COUPLED MOMENTUM AND SCALAR TRANSPORT A key advantage of the TCS method is that it provides non-iterative coupling between multiple variables. The method is best understood through application to a simple model problem. First, we will consider the 1D advection-diffusion equation for a scalar ? 2 2 u txx ?????? +=? ? ?? (3.46) where u is the velocity and ? is a diffusion coefficient. Equation (3.46) can be coupled to the 1D Burgers? equation for momentum 2 2 uu u u txx ? ?? +=? ? ?? (3.47) Applying TCSF to Equation (3.46) provides 2* nn 2 t u 2xx ? ? ? ?? ?? ? ? ?=?? ?? ? ? ?? ?? (3.48) 2* n1 n1 2 t u 2xx ? +? + ? ?? ?? ? ? ?=?? ?? ? ? ?? ?? (3.49) The first step, Equation (3.48), is an implicit equation for * ? involving only time ?n? values of u, whereas the second step, Equation (3.49), linearly couples solution of n1+ ? to 20 n1 u + . To complete the algorithm, Equation (3.47) can be similarly discretized so that the coupled TCSF method for both scalar transport and momentum can be written as linear operators, () () 2 nn 2 t 1u 2x x ? ?? ???? ? ?? +???=? ???? ?? ?? ?? (3.50) () () 2 nn 2 t 1u uu 2x x ? ?? ???? ??? +??= ???? ?? ?? ?? (3.51) 2* n1 2 2* n1 2 tt 1 2x 2 x tu t u u01 u 2x 2 x ? +? ? + ? ????????? ? ?? ??+? ?????? = ?? ?? ? ? ++? ?? ?????? (3.52) where the parentheses indicate a spatial derivative operator on the term to the right of the brackets. The first step of the TSCF method for N variables over Q grid cells results in N independent linear problems of order Q. The second step of TCSF results in a single linear problem of order NQ. This series of linear problems is a 2 nd -order temporal equivalent of the original time-marching, coupled, nonlinear momentum-advection problem. As the TCS uses an intermediate solution ( ,u ) ? ? ? followed by final solution n1 n1 (,u) ++ ? , it resembles predictor-corrector schemes. However, classic predictor- corrector methods are formulated with an explicit predictor of the time n+1 values followed by an implicit corrector to the time n+1 values, which makes the classic predictor-corrector methods restricted by the CFL condition; furthermore, predictor- corrector methods do not provide an avenue for a simple nonlinear solution (see discussions in Lomax et al, 1999 and Tannehill et al, 1997). In contrast, the new TCS method provides an implicit linearized predictor of the time n+1/2 values that are used in a coupled implicit solution of the time n+1 values. This new approach provides a simple method of linearly-coupling equations that are nonlinearly-coupled in the original problem. The method requires only linear matrix solutions and does not require the outer iteration of Picard or Newton methods. As compared to the functional Jacobians required for local linearization and Newton iteration, the TCS coefficient matrices are relatively easy to derive and have forms very similar to the original model problem. 3.4 SUMMARY A new computational linearization method, the TCS, is derived and analyzed in this chapter. Without iteration and calculation of the Jacobian, the TCS method splits the quadratic nonlinear term into two steps so that each step is computationally linear. That is, for time marching from known state n x to unknown state n1+ x we use a linear solution of n ()=Ax x b % % % followed by n1 () + =Axx b % % % % % that is a second-order equivalent to 21 n1 n1 () ++ =Ax x b. In addition to the linearization, the TCS method can generate different TCS discrete forms. All different TCS formats are mathematically equivalent to the original implicit midpoint rule discretization. As a result, they share the same 2nd-order temporal accuracy. Furthermore, we also demonstrated that the TCS method can couple multiple variables without iterations. Characteristics of the TCS method such as accuracy, stability and efficiency will be explored in the next chapter using examples with analytical solutions. 22 Chapter 4 Implementation of the TCS Method in 1D Problems The theory of the TCS method is illustrated in Chapter 3. To investigate the characteristics of the new method, we apply the TCS method to three different test cases: a 1D conservative Burgers? equation, a 1D non-conservative Burgers? equation and a 1D nonlinear ordinary differential equation (ODE). For each test case, the TCS algorithm is compared to the conventional implicit nonlinear solution methods (local linearization, Picard iteration and Newton iteration) applied to Crank-Nicolson discretization. The temporal accuracy of different TCS discretizations is verified by all three test cases. The practical stability of the TCS method is confirmed using the unsteady flow test case with an analytical solution in both conservative and non-conservative forms. The method is shown to require computational effort similar to local linearization, but does not require discrete computation of a functional Jacobian for solution. 4.1 APPLICATION OF THE TCS METHOD TO THE 1D CONSERVATIVE BURGERS? EQUATION 4.1.1 Discrete formats of the 1D Conservative Burger?s equation using various methods Burgers? equation provides a useful model problem for comparing the TCS to other nonlinear solution methods. We will begin from the conservative form of Burgers? equation. The application of the TCS method to the non-conservative Burgers? equation will be discussed in the next section. The conservative form of the 1D Burgers? equation is: () 2 2 2 u1 u u t2x x ? ?? +=? ? (4.1) Time-Centered Split Method For an equation with one variable and a simple quadratic nonlinearity, TCSF and TCSG collapse into a single form. For Equation (4.1), the TCSF and TCSG methods are identical, and can be presented as linear operators () () n2 n 2 u t1 1uu 22 x x ? ?? ???? ? ?? +??= ???? ?? ?? ?? (4.2) ( ) 2* n1 2 u ttu 1uu 4x 2x ? +? ??? ???? +=+ ?? ?? ?? (4.3) 23 For simplicity in the following discussion, we use the generic symbols A, x and b to represent a coefficient matrix, the left-hand-side (LHS) variable vector and the right- hand-side (RHS) known vector in a matrix equation of the form of Ax = b for various solution methods. The number of grid points in space is Q. A central difference spatial discretization is applied to derivatives in Equation (4.2) and(4.3). It is useful to define a viscous scale,?, 2 t x ?? ?? ? (4.4) and the ?i? grid cell CFL number for the { } Ln,,n1? ?+time level for { } i 1,2,...Q= as L L i i ut C x ? ? ? (4.5) Similarly, it will be useful to also define a diffusion operator at any time level as ( ) LLLL ii1ii1 Du2uu +? ?? ? + (4.6) and a nonlinear adjective gradient operator LLL LL ii1i1i1i1 GCu Cu + +?? ?? (4.7) It follows that Eq, (4.2), the first step of TCSF can be written in the form Ax = b over Q grid points where the A matrix is tridiagonal such that n 2 nn 13 nn Q2 Q n Q1 C 10 28 CC 1 28 28 CC 1 28 28 C 01 28 ? ? ?? ? +? ? + ?? ?? ?? +? ?+ = ?? ?? +? ?+ ?? ? ?? +? ?? A OOO (4.8) T ** 12 Q u ,u ,...u ? ? = ? ? x (4.9) 24 n n 0 10 n 2 n 3 n Q1 n Q1n QQ1 C uu 28 u u u C uu 28 ? ? + ? + ? ? ??? ++ ? ? ?? ??? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? = ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ?? ?? ? +? ?? ? ? ?? ? ? b M (4.10) with nn 00Q1 C,u,C ? + and Q1 u ? + implemented as Dirichlet boundary conditions. Neumann boundary conditions can also be readily invoked, but are not presented here for brevity. The second step of TCS for the 1D Burgers? equation can be as evaluated from another Ax = b problem using 2 13 Q2 Q Q1 C 10 8 CC 1 88 CC 1 88 C 01 8 ? ?? ?? ? ? ? ?? + ?? ?+ = ?? ?+ ? ?? A OOO (4.11) T n1 n1 n1 12 Q u,u,..u ++ + ? ? = ? ? x (4.12) 25 0 11 22 33 Q1 Q1 Q1 QQ 1C uD 28 1 uD 2 1 uD 2 1 uD 2 C 1 uD 28 ? ?? ?? ?? ?? ?? ? +?? ? ? ++ ? ? ? ? ? ? + ? ? ? ? ? ? + ? ? = ? ? ? ? ? ? + ? ? ? ? ? ? +? ? ? ? ? b M (4.13) Thus, the TCSF method for the 1D conservative Burgers? equation requires solution of two tridiagonal linear problems at each time step. If we further split the diffusion term, we obtain the TCSF-D form for Equation (4.1) as, ( ) n 2n n 2 uttu 1uu 4x 2x ? ??? ???? +=+ ?? ? ? ?? (4.14) () () 2 n1 2 u t1 u 22 x x ? + ? ???? ? +??= ?? ?? ???? ?? (4.15) The first step is a matrix equation Ax=b with n 2 nn 13 nn Q2 Q n Q1 C 10 8 CC 1 88 CC 1 88 C 01 8 ? ? ?? + ?? ?+ = ?? ?+ ? ?? A OOO (4.16) 26 T ** * 12 Q u,u,...u ? ? = ? ? x (4.17) n nn 0 11 nn 22 nn 33 nn Q1 Q1 n Q1nn QQ 1C uD 28 1 uD 2 1 uD 2 1 uD 2 C 1 uD 28 ?? + ? ? ++ ? ? ? ? ? ? + ? ? ? ? ? ? + =? ? ? ? ? ? ? ? + ? ? ? ? ? ? +? ? ? ? ? b M (4.18) In the second step, we have * 2 ** 13 ** Q2 Q * Q1 C 10 28 CC 1 28 28 CC 1 28 28 C 01 28 ? ? ?? ? +? ? + ?? ?? ?? +? ?+ = ?? ?? ?? +? ?+ ? ?? +? ?? A OOO (4.19) T n1 n1 n1 12 Q u ,u ,...u ++ + ? ? = ? ? x (4.20) 27 n *n1 0 10 * 2 * 3 * Q1 n Q1*n1 QQ C uu 28 u u u C uu 28 + ? + + + ? ? ??? ++ ? ? ?? ?? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? = ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ?? ? ? ? +? ?? ? ? ?? ? ? b M (4.21) Similar to TCSF, the TCSF-D method for the 1D conservative Burgers? equation also requires solution of two tridiagonal linear problems at each time step. However, TCSF-D reverses the solution process in TCSF. The first step in TCSF-D is in the same structure as the second step in TCSF; the second step in TCSF-D is in the same structure as the first step in TCSF. To compare the above TCS methods to other temporally 2 nd -order accurate implicit nonlinear solution methods, we apply Crank-Nicolson 2 nd -order temporal and central difference spatial 2 nd -order discretization to Equation (4.1), resulting in nn nn n n n n1 n i1 i1 i1 i1 i1 i i1 ii 2 n1 n1 n1 n1 n1 n1 n1 i1 i1 i1 i1 i1 i i1 2 tuu uu u 2u u uu 24x x uu uu u 2u u 4x x + ++ ?? + ? ++ ++ + + + ++ ?? + ? ??? ?+ =? ?? ? ?? ? ? +?? ? ?? ? (4.22) Conventional linearization methods such as Picard iteration, Newton iteration and local linearization methods are used to solve Equation (4.22). Picard Iteration The simplest approach to implement for a nonlinear equation such as Equation (4.22) is a lagged-coefficient iteration (Tannehill et al. 1997,pg 450) , which is a form of Picard iteration. A linear inner equation is formed by estimating the time n+1 flux as () k n1 i u + , where the additional superscript ?k? is introduced as the outer iteration counter. Equation (4.22) can then be represented as the Picard method 28 () ()()()() () ()() nn nn n n n k1 n1 n i1 i1 i1 i1 i1 i i1 ii 2 kk1 kk1 n1 n1 n1 n1 i1 i1 i1 i1 k1 k1 k1 n1 n1 n1 i1 i i1 2 tuu uu u 2u u uu 24x x uu uu 4x u2u u x + + ++ ?? + ? ++ ++ ++ ?? +++ +? =? ??? ?+ ?? ? ?? ? ? + ? ? ?+ ? ?? ? ? ? ? (4.23) which is solved for k={1,2,3...} until an appropriate convergence criterion is reached. . Thus, each outer iteration requires an inner linear solution of the form Ax = b. For comparison with other methods, it is useful to define an kk1 k+ = +Ax b c form in which the b vector requires only a single computation in each time step whereas the c vector is recomputed in each outer iteration. For Equation (4.23), the result is k 3 kk 24 k kk Q2 Q k Q1 C 10 28 CC 1 28 28 CC 1 28 28 C 01 28 ? ? ?? ? +? ? + ?? ?? ?? +? ?+ = ?? ?? ?? +? ?+ ? ?? +? ?? A OOO (4.24) ()() () T k1 k1 k1 k1 n1 n1 n1 12 Q u , u ,... u ++ + ++ + +?? = ?? ?? x (4.25) 29 nn n 11 1 nn n 22 2 nn n 33 3 nn n Q1 Q1 Q1 nn n QQ Q 11 uGD 82 11 uGD 82 11 uGD 82 11 uGD 82 11 uGD 82 ??? ? ? ?+ ? ? ? ? ? ? ?+ ? ? ? ? ? ??+ = ? ? ? ? ? ? ? ? ?+ ? ? ? ? ? ? ?+ ? ? b M (4.26) k 0 k k Q1 1 C 28 0 0 0 1 C 28 + ? ? ? + ? ? ? ? ? ? ? ? ? ? = ? ? ? ? ? ? ? ?? ? ? ? ? ? c M (4.27) For the Picard iteration, the first outer iterative solution is started with () 1 n1 n ii uu + = . The outer iteration is stopped when ()() { } k1 k n1 n1 + ++ ? 0.1. However, the TCS methods remain stable in the whole range of CFL number. 10 ?2 10 ?1 10 0 10 1 10 ?15 10 ?14 10 ?13 10 ?12 10 ?11 10 ?10 10 ?9 10 ?8 10 ?7 10 ?6 10 ?5 10 ?4 10 ?3 10 ?2 10 ?1 10 0 CFL ? RMS TCSF TCSF?D RK2 RK4 2nd order slope unstable unstable Figure 4.12 Temporal accuracy of the TCS and RK methods for solution of 1D non- conservative Burgers? equation at different CFL numbers, where ?=0.05, x? =1/50 and t? =0.6/? with ? ?{500, 200, 100, 80, 50, 30, 25, 20, 10, 8, 5}. Computational requirement The same assessment of operation counts is used in this non-conservative Burgers? equation. All the methods perform similar to the non-conservative Burgers? equation. The TCSF and TCSG-D have the identical operation counts because they have the same solution process only in a reverse mode. The same correspondence can be found between the TCSG and TCSF-D for the same reason. In this 1D non-conservative Burgers? equation test case, the TCSF and TCSG-D have the least operation counts. 59 1 2 3 4 5 6 7 0 100 200 300 400 500 600 R operations per grid point TCSF TCSG TCSF?D TCSG?D local linearization Newton iteration Picard iteration Figure 4.13 Ideal operations per grid point for one time step using various nonlinear solution methods for 1D Non-conservative Burgers equation. R is the number of outer iterations taken by Newton method. It is assumed that the Picard method convergences in 2 R outer iterations. 4.3 APPLICATION OF THE TCS METHOD TO A 1D NONLINEAR ORDINARY DIFFERENTIAL EQUATION The TCS method can be extended to any equation system with quadratic nonlinearities. To test this general capability, we use a nonlinear ODE as our example: dy y(1 y) 0 dt + ?= (4.101) For the initial condition y(0) 1/ 2= , Equation (4.101) has the analytical solution (Moin 2001) [ ] 1 y 1 exp(t) ? =+ (4.102) 4.3.1 The TCS discretizations The TCSF Discretization As in the 1D conservative Burgers? equation, the TCSF and TCSG are the same for Equation (4.101). Applying the TCSF method to Equation (4.101) provides 60 () nn** t yy yyy 2 ? ? =+ ? (4.103) () n1 * n1 * * t yyyyy 2 ++ ? =+ ? (4.104) The discrete form can be written from Equation (4.103) and (4.104) as n n y y t 1y1 2 ? = ? ? ?? ? ? ? (4.105) ** n1 * t yy 2 y t 1y 2 + ? ? = ? ? (4.106) The TCSF-D Discretization Similarly, the TCSF-D discrete format for Equation (4.101) is written as nn n t yy 2 y t 1y 2 ? ? ? = ? ? (4.107) () * n1 * y y t 1y1 2 + = ? ? ? (4.108) It can be seen that Equation (4.108) has the same structure as Equation (4.105) and Equation (4.107) has the same structure as Equation (4.106). Therefore, the TCSF and TCSF-D discrete forms for Equation (4.101) are similar but reversed. 4.3.2 Conventional linearization methods Crank-Nicolson (CN) discretized Equation (4.101) is, () () n1nnnn1n1 tt yy y1y y1y 22 +++ ? ? =+ ? + ? (4.109) To linearize the nonlinear term on right hand side of Equation (4.109), we use the Newton iteration, Picard iteration and local linearization methods. 61 Newton method Applying the Newton iteration approach, Equation (4.109) can be written as: () () ( ) k n1 k1 k n1 n1 n1 k gy yy g y + + ++ + =? ??? ?? ? ?? (4.110) where the outer superscript indicates the outer iteration number and () () () n1 n1 n1 n1 n n n tt gy y y 1y y y 1y 22 ++ + + ? ? =? ? ?? ? (4.111) Substituting Equation (4.111) into Equation (4.110), the original ODE in the Newton linearized CN discretized form is () () () () () () () kkk n1 n1 n1 n n n k1 k n1 n1 k n1 tt yy1yyy1y 22 yy t 12y 1 2 +++ + ++ + ? ? ?? ????? ?? ?? =? ? ?? ?? ?? ?? (4.112) n1 n 0 yy + = can be used as the initial condition to start the solution. Picard method A second conventional approach, Picard iteration, in Equation (4.109), results in () () () () k1 k k n1 n n n n1 n1 tt yyy1yy1y 22 + +++ ? ? ?? =+ ? + ? ?? ?? (4.113) The same initial condition, n1 n 0 yy + = can be used to start the solution. Local linearization Applying the third conventional method, local linearization method, Equation (4.109) can be written as n n1 n n tf yy tf 1 2y + ? =+ ? ? ???? ? ? ? ?? ? ??? ? ? ? (4.114) where ( )fy1y=? (4.115) 62 Substituting Equation (4.115) into Equation (4.114) provides the locally-linearized Equation (4.109) as ( ) () nn n1 n n ty 1y yy t 12y1 2 + ?? =+ ? ? ? ?? ? ? ? ? (4.116) In this specific case, the local linearization, TCSF and TCSF-D are mathematically equivalent. If we substitute Equation (4.105) to Equation (4.106) and substitute Equation (4.107) to Equation (4.108), we will have two expressions which are exactly the same as Equation (4.116). 4.3.3 Comparisons between the TCS and other methods The evolution of the absolute errors for two TCS methods applied to the ODE is shown in Figure 4.14. The maximum absolute errors for both TCS discrete formats occur at time t=1.5. 0 2 4 6 8 10 0 1 x 10 ?4 t ? abs TCSF TCSF?D Figure 4.14 Time evolution of absolute errors for TCS methods applied to the ODE, Equation (4.101), for t? =0.1, where abs model analytical (t) y (t) y (t)?= ? . Figure 4.15 provides a comparison of root-mean-square (RMS) error over ? time steps prior to maximum error, defined as 63 1/2 2 RMS mod el i analytical i i1 1 y (t) y (t) ? = ?? ?? ???? ? ?? ?? ? ?? ? (4.117) where max t1.5= and { }10, 50, 100, 200, 500, 600, 800, 1000, 1200, 1500, 2000?? . All tested methods provide second-order accuracy. In this particular case, the iterative methods have slightly smaller error than non-iterative methods. The errors from the three non-iterative methods are identical since TCSF, TCSF-D and local linearization are mathematically equivalent. 10 1 10 2 10 3 10 ?9 10 ?8 10 ?7 10 ?6 10 ?5 10 ?4 10 ?3 10 ?2 ? ? RMS TCSF TCSF?D Picard Newton Local linearization 2nd order Figure 4.15 RMS error from Equation (4.117) for discrete solutions of the ODE, Equation (4.101), computed using a range of ? time steps. 4.4 SUMMARY The TCS method has been tested on three different test cases: a 1D conservative Burgers? equation, a 1D non-conservative Burgers? equation and an ODE. The TCS method has multiple discrete forms for each test case. All the TCS discretizations have been compared to conventional implicit linearization methods, including Picard iteration, Newton iteration and local linearization methods. All the TCS discretizations 64 demonstrate 2 nd -order temporal accuracy and are shown stable up to a CFL O (10). All the TCS discretizations are proved stable when the CFL value is in the order of 10. The stability advantage of the TCS methods has been further demonstrated by the comparison with the RK methods. The TCS methods require fewer operation counts than Picard and Newton method, but are similar to local linearization. The principal advantage of the TCS method over local linearization is the relative ease with which the TCS method can be derived and implemented as it does not require discrete evaluation of a function Jacobian. The TCS method is applicable to any quadratically-nonlinear problems, which is verified by the ODE case. For each test case, different TCS discretizations perform similarly in temporal accuracy, stability and efficiency. However, difference can be observed among different discretizations. In the 1D conservative Burgers? equation, the TCSF and TCSG collapse into one single form. The TCSF-D reverses the solution process of the TCSF. Nevertheless, the TCSF-D has a noticeably smaller relative error than the TCSF and other methods. In the 1D non-conservative Burgers? equation, the TCSF and TCSG hold distinct forms. The TCSF-D reverses the solution process of the TCSG, and the TCSG-D reverses the solution process of the TCSF. Among the four discretizations, the TCSF has the smallest relative error, which is about one order of magnitude smaller than the TCSG- D. In the 1D nonlinear ODE case, the TCSF and TCSG remain the same. The TCSF-D reverses the solution process of the TCSF, but they have the same relative error. 65 Chapter 5 The TCS Family Method In Chapter 3, we revealed that the key to the TCS method is the 2nd-order accurate time-centered splitting. Applying this splitting to different terms, different TCS discretizations can be generated. In Chapter 4, we compared the TCS discretizations with conventional linearization methods using various examples. In this chapter, we derive the TCS family method in one general form by introducing weighting factors to different terms. A significance of this TCS family method is that the value of the weighting factors does not affect the order of accuracy of the scheme. Since weighting factors can be any value between zero and one while still providing essentially the same advantages, it may provide a flexible approach for a variety of problems. To examine the properties of weighting factors, the 1D non-conservative Burgers? equation is solved using different combinations of weighting factors. Furthermore, we demonstrate that the TCS method can computationally decouple an equation system of coupled variables using special combinations of weighting factors. This advantage makes the TCS method more efficient in solving coupled multi-variable equation systems. 5.1 DERIVATION OF THE TCS FAMILY METHOD Let us start a time marching differential equation from a simplest form: ()() () {} fFM L N t ?? = ?? ??? ?? ? , (5.1) where ? s a generic variable, F, M, L and N represent generic linear operators. The function f is a linear function of ( ) ( )FM L? ?? ? ? ? and ( )N ? . Equation (5.1) then represents a time marching differential equation with a quadratic nonlinearity of ()()FM L???? ?? and a linear operator of the variable, ( )N ? . This quadratic nonlinearity can be: the product of the variable itself, 2 ? if F, M and L are equal to 1; the product of the variable and the gradient of the variable, / x??? ? , if F=1, M=1 and L= ()/x??; the gradient of the product of the variable, ( )/x? ?? ? if M=1, L=1 and F= ()/x??. Thus, Equation (5.1) represents a generic time marching differential equation with any kind of quadratic nonlinearity. Equation (5.1) can be discretized using the midpoint rule, written as ( ) ( ) ( ) { } ( ) n1 n n12 n12 n12 3 fFM L N t t ++++ ?? ? =? + ?? ??+ ? ?? // / ,O (5.2) In the previous chapters, we demonstrated that the time-centered split can be introduced to the quadratic nonlinear term and/or the linear term. Introducing two weighting factors, 66 1 ? and 2 ? , and combining with the time-centered linear approximation, () nn1 n12 2 t 2 / O + + ?+? ?= +? , Equation (5.2) can be written as a general discretization ()()() ()() () nn1 nn1 n1 n n12 n12 11 nn1 n12 3 22 fFM L 1 FM L N1N tt 2 ++ +++ + + ? ???? ?? ???+? ?+? ? ?=?+? ? +?? ? ? ???? ?? ?? ?? ??? ???? ? ? ???+? ?? +?? ?+? ? ?? ?? ? // / , O (5.3) where the weighting factor i ? ( { }i12,? ) is required that i 01??? . Equation (5.3) is mathematically equivalent to Equation (5.2). Similar to the derivation in Chapter 3, an intermediate variable * ? is introduced as ()( ) ()( )() { ()()()} nnn12 n12n 11 n12 n 22 fFM L 1 FM L t N1N 2 ++ + ???? ?=?+ ? ? ? + ?? ? ? ???? ? ?? +?? ? *// / , (5.4) Subtracting Equation (5.4) from Equation (5.3), the second step is written as: ()( ) ()( )( ) { ()()()} () n1 n1 n12 n12 n1 11 n12 n1 3 22 fFM L 1 FM L t N1N t 2 +++ ++ ++ ???? ?=?+? ? ? +?? ? ? ???? ? ?? +?? ? +? *// / , O (5.5) Expanding n12/+ ? in Equation (5.4) using the Taylor expansion, () () () ()() 2 nnn 1t 2 nn 1t 2 2t 2 tt fFM L 22 tt 1FM L 22 tt t N1N 22 2 ? ?? ?? ??? ?? ?=?+ ? ? ?+? +?? ??? ?? ?? ? ?? ??? ?? ?? ?? +?? ?+? + ? ?? ?? ?? ?? ?? ? ?? ? ??? ?? ??+?+ +?? ? ??? ?? ?? ??? ? * O O, O (5.6) Organizing Equation (5.6) and grouping the higher order terms, ()() { ()} 2 nnnn tt fFM L N 22 ?? ?? ?? ?=?+ ? ? ? + ?? ?? ?? * ,O (5.7) n12/+ ? can be approximated using the explicit Euler approximation as 67 ()() () {} 2 n12 n n n n tt fFM L N 22 + ? ? ?? ?? ?=?+ ?? ? + ?? ?? ?? / ,O (5.8) Therefore, we obtain the correspondence between * ? and n12/+ ? from Equations (5.7) and (5.8) such that ( ) n12 2 t */ O + ? =? + ? (5.9) Substituting Equation (5.9) into Equations (5.4) and (5.5), the original equation set becomes a computationally linearized two-step equation system: ( ) ( ) ()( ) ( ) { ()()()} nn n 11 n 22 fFM L 1 FM L t N1N 2 ???? ?=?+ ? ? ? + ?? ? ? ???? ? ??+?? ? *** * , (5.10) ( ) ( ) ()( ) ( ) { ()()()} () n1 n1 n1 11 n1 3 22 fFM L 1 FM L t N1N t 2 ++ + + ???? ?=?+? ? ?+?? ? ? ???? ? ??+?? ? +? *** * , O (5.11) The weighting factor, i ? , distinguishes this derivation above from the original derivation of TCS method in Chapter 3 because the value of i ? will not affect the 2 nd -order accuracy of the TCS methods. In addition, there is no dependent relationship between 1 ? and 2 ? . In other words, as long as i 01??? , Equations (5.10) and (5.11) are a 2 nd -order equivalent to Equation (5.2). Although the derivation above uses a single variable, the same mathematic principles apply to any quadratic nonlinearity. In ordinary differential equations (ODE), the nonlinearity is simply 2 x or xy; in partial differential equations (PDE), this quadratic nonlinearity can be UU/ x? ? or ( )HU / x? ? . Therefore, the derivation above is applicable to an ODE or ODE system with quadratic nonlinearity and typical flow transport equation such as 1D advection-diffusion equation or shallow water equations. In addition, the more variables are involved in an equation system, the more weighting factors that can be introduced. As a result, the TCS method provides not a single kind, but a whole family of TCS discretizations. As we illustrated in the previous chapters, all the TCS family methods keep 2 nd - order temporal accuracy and they share the same simplicity advantages in computation. However, with different combinations of i ? , the numerical solutions perform differently. In the next section, we will use the 1D non-conservative Burgers? equation as an example to explore the different performance of different TCS discretizations. 68 5.2 APPLICATION OF THE TCS FAMILY METHOD TO THE 1D NON-CONSERVATIVE BURGERS? EQUATION With the introduction of the weighting factors 1 ? and 2 ? , the general format of the TCS discretized non-conservative Burgers? equation is written as, ()()()()(){} nn n2 2n 1x 1 x 2x 2x t uu uu 1 uu u 1 u 2 **** ? =+ ??? +???? +??? +???? (5.12) ()()() () n1 n1 n1 2 2 n1 1x 1x 2x 2x t uu uu1 uu u1 u 2 ****++ + + ? =+ ??? +???? +???+???? (5.13) The above equations are a two-step matrix equation system in the format of Ax=b. Using a central difference in spatial derivatives, the LHS coefficient matrix A in the first step is tridiagonal such that 1,1 1,2 2,1 2,2 2,3 3,2 3,3 3,4 Q2,N3 Q2,Q2 Q2,Q1 Q1,N 2 Q1,Q1 Q1,Q Q,Q 1 Q,Q aa 0 aaa aaa aaa aa a 0a ?? ?? ?? ?? ?? ? ? ?? ?? = ?? A OOO (5.14) where Q is the number of the grid points in space, and the non-zero components of A for { }i 1,2...Q= are of the form n 12 i nn i,j 1 i 1 i 1 2 n 12 i C:ji1 42 1 a1 CC :ji 4 C:1 42 +? ?? ? ??? =? ? ? ? ??=+? ? +?? = ? ?? ? ?? ? +?? =+ ? ? (5.15) Also in the first step, T ** * 12 Q u ,u ,...u? ?= ? ? x (5.16) and 69 ( ) () () () n n n2111 2 1 n n22 2 n 2Q1n Q1 nn 2Q1Qn 2 Q 1D C u 24 1D u 2 1D u 2 1DC u 24 ? ? ???? ? ? ?? +++ ?? ?? ? + = ?? ?? ? + ?? ? ? ? ? ?? +?+ ?? b M (5.17) In the second step, we also have a tridiagonal coefficient matrix A with different tridiagonal elements as () () * 12 i ** i,j 1 i 1 i 1 2 * 12 i 11 C:ji1 42 1 a11 CC 1 :ji 4 11 C:1 42 +? ?? ??? ??? =? ? ? ? ??=+ ?? ? +??? = ? ?? ? ?? ?? ? +?? =+ ? ? (5.18) and T n1 n1 n1 12 Q u ,u ,...u ++ + ? ?= ? ? x (5.19) ( ) ( ) ()() * * *112 21 1 * * 22 2 * 2Q1* Q1 ** 2Q 1Q*2 Q 1C1 D u 24 D u 2 D u 2 D1 C1 u 24 2 ? ? ??????? ?? ++ + ?? ?? + = ?? ?? + ?? ?? ??? +? + ?? b M (5.20) where C,? and D in these two steps have the same definitions as in Chapter 4. 70 5.3 RESULTS AND DISCUSSION To explore the properties of different weighting factors, the 1D non-conservative Burgers? equation is solved using Equations (5.12) and (5.13) with different combinations of 1 ? and 2 ? . Before we analyze the results from various combinations of 1 ? and 2 ? , it is necessary to review their meanings. In the TCS scheme, n12 u /+ in the Burgers? equation is either approximated using the time-centered splitting as ()() n12 n n1 2 uuu2t / /O ++ =+ +? or u * as ( ) n12 2 uu t /* O + = +?. Different i ? indicates different approximations of n12 u /+ . When i ? =0 or i ? =1, n1/2 u + is approximated only using one kind of the approximations. When i ? lies between 0 and 1, n1/2 u + is approximated by the combinations of these two approximations. Table 5.1 lists the mathematical meaning of different values of i ? . Table 5.1 The mathematical meaning of the value of 1 ? and 2 ? . value 1 ? 2 ? 0 split the entire gradient term and approximate the entire flux term using u * split the entire diffusion term 0and1<< split part of the gradient and flux terms approximate part of the gradient and flux terms using u * split part of the diffusion term and approximate part of the diffusion term using u * 1 split the entire flux term and approximate the entire gradient term using u * approximate the entire diffusion term using u * 5.3.1 Accuracy of Different Weighting Factors The error analysis of different TCS discretizations is evaluated in the same vein as in Chapter 4. In figure 5.1, the RMS error is plotted against a range of CFL numbers for six different 1 ? values ( { } 1 0131223341,/,/, /,/,?? ). For each 1 ? value, four different 2 ? values ( { } 2 013121,/,/,?? ) are chosen for comparison, resulting twenty four different TCS discretizations. The total marching time t=0.6 is used as the basis for error comparison in Figure 5.1 because the maximum absolute error occurs at t=0.6 (as demonstrated in Chapter 4). The CFL number is defined using analytical u, x150/? = and t? = 06./? , where ? is the 71 number of the time steps and { }5, 8, 10, 20, 25, 30, 50?? . Thus, the tested CFL number covers the range of 04 CFL 42..??. It can be observed that every TCS discretization has the same 2nd-order temporal accuracy and remains stable in the whole range of the CFL numbers. The computation requirement of each TCS discretization is essentially the same since they share the same general structure of matrix equations as in Equations (5.14) to (5.20). Figure 5.1 clearly shows that for a given value of 1 ? , any choice of 2 ? gives an error of the same magnitude. The reverse also holds true, as shown in Figure 5.2. The RMS error is plotted for six values of 2 ? , choosing four 1 ? values for each 2 ? value. Again, given a value for 2 ? , the choice of 1 ? affects the RMS error less than or equal to one order of magnitude. Though 12 23 12/, /?= ?= gives the lowest RMS error in these two examples, the best combination for the smallest error is problem-specific; error arises from approximations of different terms. To obtain optimal combinations of i ? for the lowest error, one needs to examine the nature of the solution and each term at the designated marching time. For this Burgers? equation, the solution u, the gradient term ux/??, and the diffusion term 22 ux/?? ? all need to be taken into consideration because approximations have been introduced to all of these terms. 72 10 ?1 10 0 10 1 10 ?6 10 ?5 10 ?4 10 ?3 10 ?2 10 ?1 CFL ? RM S ? 1 =0 10 ?1 10 0 10 1 10 ?6 10 ?5 10 ?4 10 ?3 10 ?2 10 ?1 CFL ? RM S ? 1 =1/3 10 ?1 10 0 10 1 10 ?6 10 ?5 10 ?4 10 ?3 10 ?2 10 ?1 CFL ? RM S ? 1 =1/2 10 ?1 10 0 10 1 10 ?6 10 ?5 10 ?4 10 ?3 10 ?2 10 ?1 CFL ? RM S ? 1 =2/3 10 ?1 10 0 10 1 10 ?6 10 ?5 10 ?4 10 ?3 10 ?2 10 ?1 CFL ? RM S ? 1 =3/4 10 ?1 10 0 10 1 10 ?6 10 ?5 10 ?4 10 ?3 10 ?2 10 ?1 CFL ? RM S ? 1 =1 ? 2 =0 ? 2 =1/3 ? 2 =1/2 ? 2 =1 2nd order slope Figure 5.1 Temporal accuracy of various combinations of 1 ? and 2 ? for solution of the Burgers? equation at t=0.6, where x150/? = , 005.?= and t06./?= ? ( { }5, 8, 10, 20, 25, 30, 50?? ). 73 10 ?1 10 0 10 1 10 ?6 10 ?5 10 ?4 10 ?3 10 ?2 10 ?1 CFL ? RM S ? 2 =0 10 ?1 10 0 10 1 10 ?6 10 ?5 10 ?4 10 ?3 10 ?2 10 ?1 CFL ? RM S ? 2 =1/3 10 ?1 10 0 10 1 10 ?6 10 ?5 10 ?4 10 ?3 10 ?2 10 ?1 CFL ? RM S ? 2 =1/2 10 ?1 10 0 10 1 10 ?6 10 ?5 10 ?4 10 ?3 10 ?2 10 ?1 CFL ? RM S ? 2 =2/3 10 ?1 10 0 10 1 10 ?6 10 ?5 10 ?4 10 ?3 10 ?2 10 ?1 CFL ? RM S ? 2 =3/4 10 ?1 10 0 10 1 10 ?6 10 ?5 10 ?4 10 ?3 10 ?2 10 ?1 CFL ? RM S ? 2 =1 ? 1 =0 ? 1 =1/3 ? 1 =1/2 ? 1 =1 2nd order slope Figure 5.2 Temporal accuracy of various combinations of 2 ? and 1 ? for solution of the Burgers? equation at t=0.6, where x150/? = , 005.?= and t06./?= ? ( { }5, 8, 10, 20, 25, 30, 50?? ). 74 5.3.2 Stability of Different Weighting Factors Figure 5.1 and 5.2 display the temporal accuracy of the solution of the Burgers? equation at t=0.6. All TCS discretizations produce stable solutions for the whole range of tested CFL numbers. To further explore the stability characteristics, we investigate the performance of the TCS family method at t=0.3, 1 and 2, and these results are shown in Figure 5.3, 5.4 and 5.5, respectively. Similar to Figure 5.1, the RMS error is plotted against a range of CFL numbers for several choices of 2 ? given a 1 ? value. Similar to t=0.6, all 24 TCS discretizations stay stable at t=0.3. At t=1and t=2, though, we find different results. At t=1 (Figure 5.4), for any given 1 ? value, the solution of 2 1?=becomes unstable with the increase of the CFL number, but the solutions for any 2 1?? remain stable. At t=2, the solutions of both 2 0?= and 2 1?=become unstable with the increase of the CFL number, but the solutions with any 2 01