On unifying concepts for trajectory-based slow invariant attracting manifold computation in kinetic multiscale models
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Publication:2808782
Nonlinear boundary value problems for ordinary differential equations (34B15) Invariant manifolds for ordinary differential equations (34C45) Variational principles of physics (49S05) Kinetics in biochemical problems (pharmacokinetics, enzyme kinetics, etc.) (92C45) Multiple scale methods for ordinary differential equations (34E13) Approximation methods and numerical treatment of dynamical systems (37M99) Numerical problems in dynamical systems (65P99)
Abstract: Chemical kinetic models in terms of ordinary differential equations correspond to finite dimensional dissipative dynamical systems involving a multiple time scale structure. Most dimension reduction approaches aimed at a slow mode-description of the full system compute approximations of low-dimensional attracting slow invariant manifolds and parameterize these manifolds in terms of a subset of chosen chemical species, the reaction progress variables. The invariance property suggests a slow invariant manifold to be constructed as (a bundle of) solution trajectories of suitable ordinary differential equation initial or boundary value problems. The focus of this work is on a discussion of fundamental and unifying geometric and analytical issues of various approaches to trajectory-based numerical approximation techniques of slow invariant manifolds that are in practical use for model reduction in chemical kinetics. Two basic concepts are pointed out reducing various model reduction approaches to a common denominator. In particular, we discuss our recent trajectory optimization approach in the light of these two concepts. We relate both of them in a variational boundary value viewpoint, propose a Hamiltonian formulation and conjecture its relation to conservation laws, (partial) integrability and symmetry issues as underlying fundamental principles and potentially unifying elements of diverse dimension reduction approaches.
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Cites work
- scientific article; zbMATH DE number 3623014 (Why is no real title available?)
- A continuation method for the efficient solution of parametric optimization problems in kinetic model reduction
- A variational principle for computing slow invariant manifolds in dissipative dynamical systems
- Adjoint Sensitivity Analysis for Differential-Algebraic Equations: The Adjoint DAE System and Its Numerical Solution
- Analysis of the accuracy and convergence of equation-free projection to a slow manifold
- Asymptotic analysis of two reduction methods for systems of chemical reactions
- Computing Slow Manifolds of Saddle Type
- Entropy-related extremum principles for model reduction of dissipative dynamical systems
- Equation-free, coarse-grained multiscale computation: enabling microscopic simulators to perform system-level analysis
- Minimal curvature trajectories: Riemannian geometry concepts for slow manifold computation in chemical kinetics
- Mixed-mode oscillations with multiple time scales
- On the application of trajectory-based optimization for nonlinear kinetic model reduction.
- On the implementation of an interior-point filter line-search algorithm for large-scale nonlinear programming
- One-dimensional slow invariant manifolds for fully coupled reaction and micro-scale diffusion
- Projecting to a Slow Manifold: Singularly Perturbed Systems and Legacy Codes
- SLOW INVARIANT MANIFOLDS AS CURVATURE OF THE FLOW OF DYNAMICAL SYSTEMS
- Stretching-based diagnostics and reduction of chemical kinetic models with diffusion
- The \(G\)-scheme: a framework for multi-scale adaptive model reduction
- The inverse problem in the calculus of variations and the geometry of the tangent bundle
- “Coarse” stability and bifurcation analysis using time-steppers: A reaction-diffusion example
Cited in
(12)- Entropy-related extremum principles for model reduction of dissipative dynamical systems
- Slow Invariant Manifolds of Slow–Fast Dynamical Systems
- On the application of trajectory-based optimization for nonlinear kinetic model reduction.
- Minimal curvature trajectories: Riemannian geometry concepts for slow manifold computation in chemical kinetics
- Numerical optimization methods within a continuation strategy for the reduction of chemical combustion models
- Attracting subspaces in a hyper-spherical representation of autonomous dynamical systems
- Invariant manifolds for physical and chemical kinetics
- A variational principle for computing slow invariant manifolds in dissipative dynamical systems
- On differential geometric formulations of slow invariant manifold computation: geodesic stretching and flow curvature
- Fast and slow invariant manifolds in chemical kinetics
- Towards Differential Geometric Characterization of Slow Invariant Manifolds in Extended Phase Space: Sectional Curvature and Flow Invariance
- Recasting the mass-action rate equations of open chemical reaction networks into a universal quadratic format80A30
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