## C04

### Refine

In this paper, we study the transient optimization of gas networks, focusing in particular on maximizing the storage capacity of the network. We include nonlinear gas physics and active elements such as valves and compressors, which due to their switching lead to discrete decisions. The former is described by a model derived from the Euler equations that is given by a coupled system of nonlinear parabolic partial differential equations (PDEs). We tackle the resulting mathematical optimization problem by a first-discretize-then-optimize approach. To this end, we introduce a new discretization of the underlying system of parabolic PDEs and prove well-posedness for the resulting nonlinear discretized system. Endowed with this discretization, we model the problem of maximizing the storage capacity as a non-convex mixed-integer nonlinear problem (MINLP). For the numerical solution of the MINLP, we algorithmically extend a well-known relaxation approach that has already been used very successfully in the field of stationary gas network optimization. This method allows us to solve the problem to global optimality by iteratively solving a series of mixed-integer problems (MIPs). Finally, we present two case studies that illustrate the applicability of our approach.

We consider the optimal control of a nonlinear hyperbolic system of balance
laws on a one-dimensional network which arises in the context of gas transport in pipeline
systems. State constraints, which are required for the safe operation of the system, are
incorporated by a barrier method. We discuss the well-posedness of the governing system
of partial differential-algebraic equations and investigate the existence of minimizers. For
the numerical solution, we then consider the approximation of the state equation by
mixed finite elements in space and a particular linear implicit time integration scheme
that can be interpreted as a discontinuous Galerkin approximation. We establish well-
posedness of this discretization scheme and prove the existence of minimizers for the
corresponding discretized optimal control problem and discuss its numerical solution
by a projected Gauß-Newton method. The efficient realization of the Jacobian and
Hessian of the quadratic approximations that have to be minimized in every iteration
of the Gauß-Newton method can be obtained via the solution of discretized sensitivity
and adjoint equations. These are obtained by formal differentiation and transposition
of the Galerkin methods employed for the discretization of the state equations. All
approximations obtained after discretization can thus be interpreted as functions on the
continuous level and, since the functional analytic setting is not changed by the Galerkin
discretization, we observe mesh independence of the resulting fully discrete methods. For
illustration of our theoretical results and to demonstrate the efficiency of the proposed
method, we present numerical results for two test problems that model typical situations
that may arise in the daily operation of gas networks.

Energy stable discretization of Allen-Cahn type problems modeling the motion of phase boundaries
(2017)

We study the systematic numerical approximation of a class of Allen-Cahn type problems modeling the motion of phase interfaces. The common feature of these models is an underlying gradient flow structure which gives rise to a decay of an associated energy functional along solution trajectories. We first study the discretization in space by a conforming Galerkin approximation of a variational principle which characterizes smooth solutions of the problem. Well-posedness of the resulting semi-discretization is established and the energy decay along discrete solution trajectories is proven. A problem adapted implicit time-stepping scheme is then proposed and we establish its well-posed and decay of the free energy for the fully discrete scheme. Some details about the numerical realization by finite elements are discussed, in particular the iterative solution of the nonlinear problems arising in every time-step. The theoretical results are illustrated by numerical tests which also provide further evidence for asymptotic expansions of the interface velocities derived by Alber et al.

Super-convergence and post-processing for mixed finite element approximations of the wave equation
(2017)

We consider the numerical approximation of acoustic wave propagation problems by mixed BDM(k+1)-P(k) finite elements on unstructured meshes. Optimal convergence of the discrete velocity and super-convergence of the pressure by one order are established. Based on these results, we propose a post-processing strategy that allows us to construct an improved pressure approximation from the numerical solution. Corresponding results are well-known for mixed finite element approximations of elliptic problems and we extend these analyses here to the hyperbolic problem under consideration. We also consider the subsequent time discretization by the Crank-Nicolson method and show that the analysis and the post-processing strategy can be generalized to the fully discrete schemes. Our proofs do not rely on duality arguments or inverse inequalities and the results therefore apply also for non-convex domains and non-uniform meshes.

We consider the non-isothermal flow of a compressible fluid through pipes. Starting from the full set of Euler equations, we propose a variational characterization of solutions that encodes the conservation of mass, energy, and entropy in a very direct manner. This variational principle is suitable for a conforming Galerkin approximation in space which automatically inherits the basic physical conservation laws. Three different spaces are used for approximation of density, mass flux, and temperature, and we consider a mixed finite element method as one possible choice of suitable approximation spaces. We also investigate the subsequent discretization in time by a problem adapted implicit time stepping scheme for which exact conservation of mass as well as a slight dissipation of energy and increase of entropy are proven which are due to the numerical dissipation of the implicit time discretization. The main arguments of our analysis are rather general and allow us to extend the approach with minor modification to more general boundary conditions and flow models taking into account friction, viscosity, heat conduction, and heat exchange with the surrounding medium.

We consider the identification of nonlinear diffusion coefficients of the form a(t,u) or a(u) in quasi-linear parabolic and elliptic equations. Uniqueness for this inverse problem is established under very general assumptions using partial knowledge of the Dirichlet-to-Neumann map. The proof of our main result relies on the construction of a series of appropriate Dirichlet data and test functions with a particular singular behavior at the boundary. This allows us to localize the analysis and to separate the principal part of the equation from the remaining terms. We therefore do not require specific knowledge of lower order terms or initial data which allows to apply our results to a variety of applications. This is illustrated by discussing some typical examples in detail.

Novel experimental modalities acquire spatially resolved velocity measurements for steady state and transient flows which are of interest for engineering and biological applications. One of the drawbacks of such high resolution velocity data is their susceptibility to measurement errors. In this paper, we propose a novel filtering strategy that allows enhancement of noisy measurements to obtain reconstruction of smooth divergence free velocity and corresponding pressure fields, which together approximately comply to a prescribed flow model. The main step in our approach consists of the appropriate use of the velocity measurements in the design of a linearized flow model which can be shown to be well-posed and consistent with the true velocity and pressure fields up to measurement and modeling errors. The reconstruction procedure is formulated
as a linear quadratic optimal control problem and the resulting filter has analyzable smoothing and approximation properties. We also discuss briefly the discretization of our approach by finite element methods and comment on the efficient solution of the linear optimality system by iterative solvers. The capability of the proposed method to significantly reduce data noise is demonstrated by numerical tests in which we also compare to other methods like smoothing and solenoidal filtering.

We consider a parameter dependent family of damped hyperbolic equations with interesting limit behavior: the system approaches steady states exponentially fast and for parameter to zero the solutions converge to that of a parabolic limit problem. We establish sharp estimates and elaborate their dependence on the model parameters. For the numerical approximation we then consider a mixed finite element method in space together with a Runge-Kutta method in time. Due to the variational and dissipative nature of this approximation, the limit behavior of the infinite dimensional level is inherited almost automatically by the discrete problems. The resulting numerical method thus is asymptotic preserving in the parabolic limit and uniformly exponentially stable. These results are further shown to be independent of the discretization parameters. Numerical tests are presented for a simple model problem which illustrate that the derived estimates are sharp in general.

The numerical solution of time-dependent radiative transfer problems is
challenging, both, due to the high dimension as well as the anisotropic structure of the underlying integro-partial differential equation. In this paper we propose a general framework for designing numerical methods for time-dependent radiative transfer based on a Galerkin discretization in space and angle combined with appropriate time stepping schemes. This allows us to systematically incorporate boundary conditions and to preserve basic properties like exponential stability and decay to equilibrium also on the discrete level. We present the basic a-priori error analysis and provide abstract error estimates that cover a wide class of methods. The starting point for our considerations is to rewrite the radiative transfer problem as a system of evolution equations which has a similar structure like first order hyperbolic systems in acoustics or electrodynamics. This analogy allows us to generalize the main arguments of the numerical analysis for such applications to the radiative transfer problem under investigation. We also discuss a particular discretization scheme based on a truncated spherical harmonic expansion in angle, a finite element discretization in space, and the implicit Euler method in time. The performance of the resulting mixed PN-finite element time stepping scheme
is demonstrated by computational results.

We consider the discretization and subsequent model reduction of a system of partial differential-algebraic equations describing the propagation of pressure waves in a pipeline network. Important properties like conservation of mass, dissipation of energy, passivity, existence of steady states, and exponential stability can be preserved by an appropriate semi-
discretization in space via a mixed finite element method and also during the further dimension reduction by structure preserving Galerkin projection which is the main focus of this paper. Krylov subspace methods are employed for the construction of the reduced models and we discuss modifications needed to satisfy certain algebraic compatibility conditions; these are required to ensure the well-posedness of the reduced models and the preservation of the key properties. Our analysis is based on the underlying infinite dimensional problem and its Galerkin approximations. The proposed algorithms therefore have a direct interpretation in function spaces; in principle, they are even applicable directly to the original system of partial differential-algebraic
equations while the intermediate discretization by finite elements is only required for the actual
computations. The performance of the proposed methods is illustrated with numerical tests and the necessity for the compatibility conditions is demonstrated by examples.