2010, Batallion, Christian, Bouchon, Francois, Chainais-Hillairet, Claire, Fuhrmann, Jürgen, Hoarau, Emma, Touzani, Rachid

Literaturverz. In this paper, we design numerical methods for a PDE system arising in corrosion modelling. This system describes the evolution of a dense oxide layer. It is based on a drift-diffusion system and includes moving boundary equations. The choice of the numerical methods is justified by a stability analysis and by the study of their numerical performance. Finally, numerical experiments with real-life data shows the efficiency of the developed methods.

2019, Kantner, Markus, Mielke, Alexander, Mittnenzweig, Markus, Rotundo, Nella

We discuss recent progress in the mathematical modeling of semiconductor devices. The central result of this paper is a combined quantum-classical model that self-consistently couples van Roosbroeck's drift-diffusion system for classical charge transport with a Lindblad-type quantum master equation. The coupling is shown to obey fundamental principles of non-equilibrium thermodynamics. The appealing thermodynamic properties are shown to arise from the underlying mathematical structure of a damped Hamitlonian system, which is an isothermal version of so-called GENERIC systems. The evolution is governed by a Hamiltonian part and a gradient part involving a Poisson operator and an Onsager operator as geoemtric structures, respectively. Both parts are driven by the conjugate forces given in terms of the derivatives of a suitable free energy.