Selection theorem for systems with inheritance

The problem of finite-dimensional asymptotics of infinite-dimensional dynamic systems is studied. A non-linear kinetic system with conservation of supports for distributions has generically finite-dimensional asymptotics. Such systems are apparent in many areas of biology, physics (the theory of parametric wave interaction), chemistry and economics. This conservation of support has a biological interpretation: inheritance. The finite-dimensional asymptotics demonstrates effects of "natural" selection. Estimations of the asymptotic dimension are presented. After some initial time, solution of a kinetic equation with conservation of support becomes a finite set of narrow peaks that become increasingly narrow over time and move increasingly slowly. It is possible that these peaks do not tend to fixed positions, and the path covered tends to infinity as t goes to infinity. The drift equations for peak motion are obtained. Various types of distribution stability are studied: internal stability (stability with respect to perturbations that do not extend the support), external stability or uninvadability (stability with respect to strongly small perturbations that extend the support), and stable realizability (stability with respect to small shifts and extensions of the density peaks). Models of self-synchronization of cell division are studied, as an example of selection in systems with additional symmetry. Appropriate construction of the notion of typicalness in infinite-dimensional space is discussed, and the notion of "completely thin" sets is introduced. Key words: Dynamics; Attractor; Evolution; Entropy; Natural selectionComment: 46 pages, the final journal versio

Systems with inheritance: dynamics of distributions with conservation of support, natural selection and finite-dimensional asymptotics

If we find a representation of an infinite-dimensional dynamical system as a nonlinear kinetic system with {\it conservation of supports} of distributions, then (after some additional technical steps) we can state that the asymptotics is finite-dimensional. This conservation of support has a {\it quasi-biological interpretation, inheritance} (if a gene was not presented initially in a isolated population without mutations, then it cannot appear at later time). These quasi-biological models can describe various physical, chemical, and, of course, biological systems. The finite-dimensional asymptotic demonstrates effects of {\it ``natural" selection}. The estimations of asymptotic dimension are presented. The support of an individual limit distribution is almost always small. But the union of such supports can be the whole space even for one solution. Possible are such situations: a solution is a finite set of narrow peaks getting in time more and more narrow, moving slower and slower. It is possible that these peaks do not tend to fixed positions, rather they continue moving, and the path covered tends to infinity at $t \rightarrow \infty$. The {\it drift equations} for peaks motion are obtained. Various types of stability are studied. In example, models of cell division self-synchronization are studied. The appropriate construction of notion of typicalness in infinite-dimensional spaces is discussed, and the ``completely thin" sets are introduced

Minimal Curvature Trajectories: Riemannian Geometry Concepts for Model Reduction in Chemical Kinetics

In dissipative ordinary differential equation systems different time scales cause anisotropic phase volume contraction along solution trajectories. Model reduction methods exploit this for simplifying chemical kinetics via a time scale separation into fast and slow modes. The aim is to approximate the system dynamics with a dimension-reduced model after eliminating the fast modes by enslaving them to the slow ones via computation of a slow attracting manifold. We present a novel method for computing approximations of such manifolds using trajectory-based optimization. We discuss Riemannian geometry concepts as a basis for suitable optimization criteria characterizing trajectories near slow attracting manifolds and thus provide insight into fundamental geometric properties of multiple time scale chemical kinetics. The optimization criteria correspond to a suitable mathematical formulation of "minimal relaxation" of chemical forces along reaction trajectories under given constraints. We present various geometrically motivated criteria and the results of their application to three test case reaction mechanisms serving as examples. We demonstrate that accurate numerical approximations of slow invariant manifolds can be obtained.Comment: 22 pages, 18 figure

Calculation of chemical and phase equilibria

Bibliography: pages 167-169.The computation of chemical and phase equilibria is an essential aspect of chemical engineering design and development. Important applications range from flash calculations to distillation and pyrometallurgy. Despite the firm theoretical foundations on which the theory of chemical equilibrium is based there are two major difficulties that prevent the equilibrium state from being accurately determined. The first of these hindrances is the inaccuracy or total absence of pertinent thermodynamic data. The second is the complexity of the required calculation. It is the latter consideration which is the sole concern of this dissertation

Kinetic Intersections as a Source of Information on Rate Coefficients

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A Multiscale Diffuse-Interface Model for Two-Phase Flow in Porous Media

In this paper we consider a multiscale phase-field model for capillarity-driven flows in porous media. The presented model constitutes a reduction of the conventional Navier-Stokes-Cahn-Hilliard phase-field model, valid in situations where interest is restricted to dynamical and equilibrium behavior in an aggregated sense, rather than a precise description of microscale flow phenomena. The model is based on averaging of the equation of motion, thereby yielding a significant reduction in the complexity of the underlying Navier-Stokes-Cahn-Hilliard equations, while retaining its macroscopic dynamical and equilibrium properties. Numerical results are presented for the representative 2-dimensional capillary-rise problem pertaining to two closely spaced vertical plates with both identical and disparate wetting properties. Comparison with analytical solutions for these test cases corroborates the accuracy of the presented multiscale model. In addition, we present results for a capillary-rise problem with a non-trivial geometry corresponding to a porous medium

Optimal control of geometric partial differential equations

Optimal control problems for geometric (evolutionary) partial differential inclusions are considered. The focus is on problems which, in addition to the nonlinearity due to geometric evolution, contain optimization theoretic challenges because of non-smoothness. The latter might stem from energies containing non-smooth constituents such as obstacle-type potentials or terms modeling, e.g., pinning phenomena in microfluidics. Several techniques to remedy the resulting constraint degeneracy when deriving stationarity conditions are presented. A particular focus is on Yosida-type mollifications approximating the original degenerate problem by a sequence of nondegenerate nonconvex optimal control problems. This technique is also the starting point for the development of numerical solution schemes. In this context, also dual-weighted residual based error estimates are addressed to facilitate an adaptive mesh refinement. Concerning the underlying state model, sharp and diffuse interface formulations are discussed. While the former always allows for accurately tracing interfacial motion, the latter model may be dictated by the underlying physical phenomenon, where near the interface mixed phases may exist, but it may also be used as an approximate model for (sharp) interface motion. In view of the latter, (sharp interface) limits of diffuse interface models are addressed. For the sake of presentation, this exposition confines itself to phase field type diffuse interface models and, moreover, develops the optimal control of either of the two interface models along model applications. More precisely, electro-wetting on dielectric is used in the sharp interface context, and the control of multiphase fluids involving spinodal decomposition highlights the phase field technique. Mathematically, the former leads to a Hele-Shaw flow with geometric boundary conditions involving a complementarity system due to contact line pinning, and the latter gives rise to a Cahn-Hilliard Navier-Stokes model including a non-smooth obstacle type potential leading to a variational inequality constraint