Efficient Implementation of Fully Implicit Methods for Atmospheric Chemical Kinetics

1996 ◽  
Vol 129 (1) ◽  
pp. 101-110 ◽  
Author(s):  
A. Sandu ◽  
F.A. Potra ◽  
G.R. Carmichael ◽  
V. Damian
2010 ◽  
Vol 138 (8) ◽  
pp. 3333-3341 ◽  
Author(s):  
Katherine J. Evans ◽  
Mark A. Taylor ◽  
John B. Drake

Abstract A fully implicit (FI) time integration method has been implemented into a spectral finite-element shallow-water equation model on a sphere, and it is compared to existing fully explicit leapfrog and semi-implicit methods for a suite of test cases. This experiment is designed to determine the time step sizes that minimize simulation time while maintaining sufficient accuracy for these problems. For test cases without an analytical solution from which to compare, it is demonstrated that time step sizes 30–60 times larger than the gravity wave stability limits and 6–20 times larger than the advective-scale stability limits are possible using the FI method without a loss in accuracy, depending on the problem being solved. For a steady-state test case, the FI method produces error within machine accuracy limits as with existing methods, but using an arbitrarily large time step size.


1985 ◽  
pp. 113-144 ◽  
Author(s):  
ROBERT J. KEE ◽  
LINDA R. PETZOLD ◽  
MITCHELL D. SMOOKE ◽  
JOSEPH F. GRCAR

2021 ◽  
Vol 86 (3) ◽  
Author(s):  
Xinyu Cheng ◽  
Dong Li ◽  
Keith Promislow ◽  
Brian Wetton

AbstractAdaptive time stepping methods for metastable dynamics of the Allen–Cahn and Cahn–Hilliard equations are investigated in the spatially continuous, semi-discrete setting. We analyse the performance of a number of first and second order methods, formally predicting step sizes required to satisfy specified local truncation error $$\sigma $$ σ in the limit of small length scale parameter $$\epsilon \rightarrow 0$$ ϵ → 0 during meta-stable dynamics. The formal predictions are made under stability assumptions that include the preservation of the asymptotic structure of the diffuse interface, a concept we call profile fidelity. In this setting, definite statements about the relative behaviour of time stepping methods can be made. Some methods, including all so-called energy stable methods but also some fully implicit methods, require asymptotically more time steps than others. The formal analysis is confirmed in computational studies. We observe that some provably energy stable methods popular in the literature perform worse than some more standard schemes. We show further that when Backward Euler is applied to meta-stable Allen–Cahn dynamics, the energy decay and profile fidelity properties for these discretizations are preserved for much larger time steps than previous analysis would suggest. The results are established asymptotically for general interfaces, with a rigorous proof for radial interfaces. It is shown analytically and computationally that for most reaction terms, Eyre type time stepping performs asymptotically worse due to loss of profile fidelity.


2020 ◽  
Vol 11 ◽  
Author(s):  
Xindan Gao ◽  
Craig S. Henriquez ◽  
Wenjun Ying

The bidomain equations have been widely used to model the electrical activity of cardiac tissue. While it is well-known that implicit methods have much better stability than explicit methods, implicit methods usually require the solution of a very large nonlinear system of equations at each timestep which is computationally prohibitive. In this work, we present two fully implicit time integration methods for the bidomain equations: the backward Euler method and a second-order one-step two-stage composite backward differentiation formula (CBDF2) which is an L-stable time integration method. Using the backward Euler method as fundamental building blocks, the CBDF2 scheme is easily implementable. After solving the nonlinear system resulting from application of the above two fully implicit schemes by a nonlinear elimination method, the obtained nonlinear global system has a much smaller size, whose Jacobian is symmetric and possibly positive definite. Thus, the residual equation of the approximate Newton approach for the global system can be efficiently solved by standard optimal solvers. As an alternative, we point out that the above two implicit methods combined with operator splittings can also efficiently solve the bidomain equations. Numerical results show that the CBDF2 scheme is an efficient time integration method while achieving high stability and accuracy.


Author(s):  
Alan Jappy ◽  
Donald Mackenzie ◽  
Haofeng Chen

Ensuring sufficient safety against ratchet is a fundamental requirement of pressure vessel design. Determining the ratchet boundary can however prove difficult when using a full elastic plastic finite element analysis and a number of direct methods have been proposed that overcome the difficulties associated with ratchet boundary evaluation. Here, a new approach based on fully implicit methods, similar to conventional elastic-plastic methods, is presented. The method utilizes a two-stage procedure. The first stage determines the cyclic stress state, which can include a varying residual stress component, by repeatedly converging on the solution for the different loads by superposition of elastic stress solutions using a modified elastic-plastic solution. The second stage calculates the constant loads which can be added to the steady cycle whilst ensuring the equivalent stresses remain below a modified yield strength. During stage 2 the modified yield strength used is updated throughout the analysis thus satisfying Melans Lower bound ratchet theorem. This is achieved through the same elastic plastic model as the first stage, using a modified radial return method. The methods that have been proposed here are shown to provide better agreement with upper bound ratchet method than the Hybrid method, however some limitations in this type of method have been identified and are discussed.


2007 ◽  
Vol 04 (02) ◽  
pp. 353-366 ◽  
Author(s):  
MUKUNDAN NAIR DEEPU ◽  
SADANAND SADASHIV GOKHALE

Numerical modeling of turbulent-reacting flow field in supersonic combustors is presented. When flow field and chemical kinetics with differing time scales need to be solved simultaneously, explicit treatment of all conservation terms with reaction chemistry results in stiff equations and has a tendency to degrade the performance of numerical method. A method of preconditioning, in which the conservation equations in conjunction with chemical source terms alone is treated implicitly. Such a method has the advantage of both explicit and implicit methods. A code was developed using above method and tested successfully for a supersonic combustor configuration.


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