Compact integration factor methods for complex domains and adaptive mesh refinement

Implicit integration factor (IIF) method, a class of efficient semi-implicit temporal scheme, was introduced recently for stiff reaction-diffusion equations. To reduce cost of IIF, compact implicit integration factor (cIIF) method was later developed for efficient storage and calculation of exponential matrices associated with the diffusion operators in two and three spatial dimensions for Cartesian coordinates with regular meshes. Unlike IIF, cIIF cannot be directly extended to other curvilinear coordinates, such as polar and spherical coordinate, due to the compact representation for the diffusion terms in cIIF. In this paper, we present a method to generalize cIIF for other curvilinear coordinates through examples of polar and spherical coordinates. The new cIIF method in polar and spherical coordinates has similar computational efficiency and stability properties as the cIIF in Cartesian coordinate. In addition, we present a method for integrating cIIF with adaptive mesh refinement (AMR) to take advantage of the excellent stability condition for cIIF. Because the second order cIIF is unconditionally stable, it allows large time steps for AMR, unlike a typical explicit temporal scheme whose time step is severely restricted by the smallest mesh size in the entire spatial domain. Finally, we apply those methods to simulating a cell signaling system described by a system of stiff reaction-diffusion equations in both two and three spatial dimensions using AMR, curvilinear and Cartesian coordinates. Excellent performance of the new methods is observed.

[1]  Robert Meakin,et al.  Composite Overset Structured Grids , 1998 .

[2]  Gerard L. G. Sleijpen,et al.  A Jacobi-Davidson Iteration Method for Linear Eigenvalue Problems , 1996, SIAM Rev..

[3]  N. Anders Petersson,et al.  Hole-Cutting for Three-Dimensional Overlapping Grids , 1999, SIAM J. Sci. Comput..

[4]  Daniel J. Quinlan,et al.  Overture: An Object-Oriented Framework for Solving Partial Differential Equations , 1997, ISCOPE.

[5]  Jonathan Goodman,et al.  Modeling pinchoff and reconnection in a Hele-Shaw cell. II. Analysis and simulation in the nonlinear regime , 2002 .

[6]  T. Hou,et al.  Removing the stiffness from interfacial flows with surface tension , 1994 .

[7]  M. Berger,et al.  Adaptive mesh refinement for hyperbolic partial differential equations , 1982 .

[8]  Robert C. Kirby,et al.  On the convergence of high resolution methods with multiple time scales for hyperbolic conservation laws , 2003, Math. Comput..

[9]  Joel H. Ferziger,et al.  NUMERICAL COMPUTATION OF UNSTEADY INCOMPRESSIBLE FLOW IN COMPLEX GEOMETRY USING A COMPOSITE MULTIGRID TECHNIQUE , 1991 .

[10]  M E Greenberg,et al.  A cytoplasmic inhibitor of the JNK signal transduction pathway. , 1997, Science.

[11]  Lloyd N. Trefethen,et al.  Fourth-Order Time-Stepping for Stiff PDEs , 2005, SIAM J. Sci. Comput..

[12]  L. Fuchs,et al.  Calculation of flows using three‐dimensional overlapping grids and multigrid methods , 1995 .

[13]  John Lowengrub,et al.  Microstructural Evolution in Orthotropic Elastic Media , 2000 .

[14]  Peter D. Welch,et al.  The Fast Fourier Transform and Its Applications , 1969 .

[15]  P. Baeuerle,et al.  IKAP is a scaffold protein of the IκB kinase complex , 1998, Nature.

[16]  Emil M. Constantinescu,et al.  Multirate Timestepping Methods for Hyperbolic Conservation Laws , 2007, J. Sci. Comput..

[17]  P. Colella,et al.  Local adaptive mesh refinement for shock hydrodynamics , 1989 .

[18]  A. Voigt,et al.  A New Method for Simulating Strongly Anisotropic Cahn-Hilliard Equations , 2007 .

[19]  Qing Nie,et al.  A compact finite difference method for reaction–diffusion problems using compact integration factor methods in high spatial dimensions , 2008, Advances in Difference Equations.

[20]  D. W.,et al.  Multigrid on Composite Meshes , 1987 .

[21]  Qiang Du,et al.  STABILITY ANALYSIS AND APPLICATION OF THE EXPONENTIAL TIME DIFFERENCING SCHEMES 1) , 2004 .

[22]  Elizabeth M Cherry,et al.  Efficient simulation of three-dimensional anisotropic cardiac tissue using an adaptive mesh refinement method. , 2003, Chaos.

[23]  John D. Scott,et al.  AKAP signalling complexes: focal points in space and time , 2004, Nature Reviews Molecular Cell Biology.

[24]  L G SleijpenGerard,et al.  A Jacobi--Davidson Iteration Method for Linear Eigenvalue Problems , 1996 .

[25]  J. L. Steger,et al.  On the use of composite grid schemes in computational aerodynamics , 1987 .

[26]  Hua-zhong,et al.  HIGH RESOLUTION SCHEMES FOR CONSERVATION LAWS AND CONVECTION-DIFFUSION EQUATIONS WITH VARYING TIME AND SPACE GRIDS 1) , 2006 .

[27]  R. Meakin Moving body overset grid methods for complete aircraft tiltrotor simulations , 1993 .

[28]  J. Trangenstein,et al.  Operator splitting and adaptive mesh refinement for the Luo-Rudy I model , 2004 .

[29]  J. M. Keiser,et al.  A New Class of Time Discretization Schemes for the Solution of Nonlinear PDEs , 1998 .

[30]  Gerard L. G. Sleijpen,et al.  A Jacobi-Davidson Iteration Method for Linear Eigenvalue Problems , 1996, SIAM J. Matrix Anal. Appl..

[31]  W. Henshaw,et al.  An adaptive numerical scheme for high-speed reactive flow on overlapping grids , 2003 .

[32]  T. Hughes,et al.  Role of scaffolds in MAP kinase pathway specificity revealed by custom design of pathway-dedicated signaling proteins , 2001, Current Biology.

[33]  D. Morrison,et al.  Regulation of MAP kinase signaling modules by scaffold proteins in mammals. , 2003, Annual review of cell and developmental biology.

[34]  Bharat K. Soni,et al.  Handbook of Grid Generation , 1998 .

[35]  John Lowengrub,et al.  Microstructural Evolution in Inhomogeneous Elastic Media , 1997 .

[36]  Wendell A. Lim,et al.  Rewiring MAP Kinase Pathways Using Alternative Scaffold Assembly Mechanisms , 2003, Science.

[37]  Gerard L. G. Sleijpen,et al.  A generalized Jacobi-Davidson iteration method for linear eigenvalue problems , 1998 .

[38]  Robert E. Lewis,et al.  The Molecular Scaffold KSR1 Regulates the Proliferative and Oncogenic Potential of Cells , 2004, Molecular and Cellular Biology.

[39]  Charles R. Johnson,et al.  Matrix analysis , 1985, Statistical Inference for Engineers and Data Scientists.

[40]  Daniel J. Quinlan,et al.  OVERTURE: An Object-Oriented Software System for Solving Partial Differential Equations in Serial and Parallel Environments , 1997, PPSC.

[41]  Qiang Du,et al.  Analysis and Applications of the Exponential Time Differencing Schemes and Their Contour Integration Modifications , 2005 .

[42]  C S Henriquez,et al.  A space-time adaptive method for simulating complex cardiac dynamics. , 2000, Physical review letters.

[43]  R. Davis,et al.  Structural organization of MAP-kinase signaling modules by scaffold proteins in yeast and mammals. , 1998, Trends in biochemical sciences.

[44]  C. Loan Computational Frameworks for the Fast Fourier Transform , 1992 .

[45]  Qing Nie,et al.  Efficient semi-implicit schemes for stiff systems , 2006, J. Comput. Phys..

[46]  Ed Anderson,et al.  LAPACK Users' Guide , 1995 .

[47]  W. Henshaw,et al.  Composite overlapping meshes for the solution of partial differential equations , 1990 .

[48]  Clint Dawson,et al.  High Resolution Schemes for Conservation Laws with Locally Varying Time Steps , 2000, SIAM J. Sci. Comput..

[49]  Qiang Du,et al.  STABILITY ANALYSIS AND APPLICATION OF THE EXPONENTIAL TIME DIFFERENCING SCHEMES , 2022 .