35K57 Reaction-diffusion equations
Refine
Language
- English (9)
Keywords
- reaction-diffusion systems (5)
- dual dissipation potential (2)
- finite volume method (2)
- heterostructures (2)
- Energy-reaction-diffusion systems (1)
- Geodesic convexity, gradient structures, gradient flow, Onsager operator, reaction-diffusion system, Wasserstein metric, relative entropy (1)
- Gradient flow (1)
- Gradient flow (1)
- Newton-CG (1)
- Onsager operator (1)
We derive an optoelectronic model based on a gradient formulation for the relaxation of electron-, hole- and photon-densities to their equilibrium state. This leads to a coupled system of partial and ordinary differential equations, for which we discuss the isothermal and the non-isothermal scenario separately.
We derive thermodynamically consistent models of reaction-diffusion equations
coupled to a heat equation. While the total energy is conserved, the total
entropy serves as a driving functional such that the full coupled system is a
gradient flow. The novelty of the approach is the Onsager structure, which is
the dual form of a gradient system, and the formulation in terms of the
densities and the internal energy. In these variables it is possible to assume
that the entropy density is strictly concave such that there is a unique
maximizer (thermodynamical equilibrium) given linear constraints on the total
energy and suitable density constraints.
We consider two particular systems of this type, namely, a
diffusion-reaction bipolar energy transport system, and a
drift-diffusion-reaction energy
transport system with confining potential. We prove corresponding
entropy-entropy production inequalities with explicitly calculable constants
and establish the convergence to thermodynamical equilibrium, at first in
entropy and further in $L^1$ using Cziszar-Kullback-Pinsker type inequalities.
We investigate the convergence of an implicit Voronoi finite volume
method for reaction-diffusion problems including nonlinear diffusion
in two space dimensions. The model allows to handle heterogeneous
materials and uses the chemical potentials of the involved species as
primary variables. The numerical scheme uses boundary conforming Delaunay
meshes and preserves positivity and the dissipative property of the
continuous system. Starting from a result on the global stability of
the scheme (uniform, mesh-independent global upper and lower bounds),
we prove strong convergence of the chemical activities and their gradients
to a weak solution of the continuous problem. In order to illustrate the
preservation of qualitative properties by the numerical scheme, we present
a long-term simulation of the Michaelis-Menten-Henri system. Especially,
we investigate the decay properties of the relative free energy and the
evolution of the dissipation rate over several magnitudes of time, and
obtain experimental orders of convergence for these quantities.
This paper presents efficient computational techniques for solving an optimization problem in cardiac defibrillation governed by the monodomain equations. Time-dependent electrical currents injected at different spatial positions act as the control. Inexact Newton-CG methods are used, with reduced gradient computation by adjoint solves. In order to reduce the computational complexity, adaptive mesh refinement for state and adjoint equations is performed. To reduce the high storage and bandwidth demand imposed by adjoint gradient and Hessian-vector evaluations, a lossy compression technique for storing trajectory data is applied. An adaptive choice of quantization tolerance based on error estimates is developed in order to ensure convergence. The efficiency of the proposed approach is demonstrated on numerical examples.
We consider systems of reaction-diffusion equations as gradient systems with respect to an entropy functional and a dissipation metric given in terms of a so-called Onsager operator, which is a sum of a diffusion part of Wasserstein type and a reaction part. We provide methods for establishing geodesic $\lambda$-convexity of the entropy functional by purely differential methods, thus circumventing arguments from mass transportation. Finally, several examples, including a drift-diffusion system, provide a survey on the applicability of the theory.
We consider discretizations for reaction-diffusion systems with nonlinear
diffusion in two space dimensions. The applied model allows to handle heterogeneous
materials and uses the chemical potentials of the involved species as primary variables.
We propose an implicit Voronoi finite volume discretization on regular Delaunay
meshes that allows to prove uniform, mesh-independent global upper and lower L1
bounds for the chemical potentials. These bounds provide the main step for a convergence
analysis for the full discretized nonlinear evolution problem. The fundamental
ideas are energy estimates, a discrete Moser iteration and the use of discrete
Gagliardo-Nirenberg inequalities. For the proof of the Gagliardo-Nirenberg inequalities
we exploit that the discrete Voronoi finite volume gradient norm in 2d coincides
with the gradient norm of continuous piecewise linear finite elements.
An electronic model for solar cells including active interfaces and energy resolved defect densities
(2011)
We introduce an electronic model for solar cells taking into account
heterostructures with active
interfaces and energy resolved volume and interface trap densities.
The model consists of continuity equations for electrons and holes with thermionic
emission transfer conditions at the interface and of ODEs for the trap
densities with energy level and spatial position as parameters,
where the right hand sides contain generation-recombination as well as
ionization reactions. This system is coupled with a Poisson
equation for the electrostatic potential.
We show the thermodynamic correctness of the model and prove a priori estimates
for the solutions to the evolution system. Moreover, existence and uniqueness
of weak solutions of the problem are proven. For this purpose we solve a
regularized problem and verify bounds of the corresponding solution
not depending on the regularization level.
We show that many couplings between parabolic systems for processes in solids can be formulated as a gradient system with respect to the total free energy or the total entropy. This includes Allen-Cahn, Cahn-Hilliard, and reaction-diffusion systems and the heat equation. For this, we write the coupled system as an Onsager system $(X,\Phi,K)$ defining the evolution $\dot{U} = -K(U)D\Phi(U)$. Here $\Phi$ is the driving functional, while the Onsager operator $K(U)$ is symmetric and positive semidefinite. If the inverse $G = K^{-1}$ exists, the triple $(X,\Phi,G)$ defines a gradient system. Onsager systems are well suited to model bulk-interface interactions by using the dual dissipation potential $\Psi^*(U,\Xi) = 1/2 <\Xi,K(U)\Xi>$. Then, the two functionals $\Phi$ and $\Psi^*$ can be written as a sum of a volume integral and a surface integral, respectively. The latter may contain interactions of the driving forces in the interface as well as the traces of the driving forces from the bulk. Thus, capture and escape mechanisms like thermionic emission appear naturally in Onsager systems, namely simply through integration by parts.
Using a classical theorem of Sobolevskii on equations of parabolic type in a Banach space and recently obtained results on elliptic operators with discontinuous coefficients including mixed boundary conditions we prove that quasilinear parabolic systems in diagonal form admit a local, classical solution in the space of p-integrable functions, for some p greater than 1, over a bounded two dimensional space domain. As applications we have in mind systems of reaction diffusion equations, e.g. van Roosbroeck's system. The treatment of such equations in a space of integrable functions enables us to define the normal component of the flow across any part of the Dirichlet boundary by Gauss' theorem.