Converting DAE models to ODE models: application to reactive Rayleigh distillation

This paper illustrates the application of an index reduction method to some differential algebraic equations (DAE) modelling the reactive Rayleigh distillation. After two deflation steps, this DAE is converted to an equivalent first-order explicit ordinary differential equation (ODE). This ODE involves a reduced number of dependent variables, and some evaluations of implicit functions defined, either from the original algebraic constraints, or from the hidden ones. Consistent initial conditions are no longer to be computed; at the opposite of some other index reduction methods, which generate a drift-off effect, the algebraic constraints remain satisfied at any time; and, finally, the computational effort to solve the ODE may be less than the one associated to the original DAE

Non-constructive interval simulation of dynamic systems

Publisher PD

Approximations for many-body Green's functions: insights from the fundamental equations

Several widely used methods for the calculation of band structures and photo emission spectra, such as the GW approximation, rely on Many-Body Perturbation Theory. They can be obtained by iterating a set of functional differential equations relating the one-particle Green's function to its functional derivative with respect to an external perturbing potential. In the present work we apply a linear response expansion in order to obtain insights in various approximations for Green's functions calculations. The expansion leads to an effective screening, while keeping the effects of the interaction to all orders. In order to study various aspects of the resulting equations we discretize them, and retain only one point in space, spin, and time for all variables. Within this one-point model we obtain an explicit solution for the Green's function, which allows us to explore the structure of the general family of solutions, and to determine the specific solution that corresponds to the physical one. Moreover we analyze the performances of established approaches like $GW$ over the whole range of interaction strength, and we explore alternative approximations. Finally we link certain approximations for the exact solution to the corresponding manipulations for the differential equation which produce them. This link is crucial in view of a generalization of our findings to the real (multidimensional functional) case where only the differential equation is known.Comment: 17 pages, 7 figure

Splitting methods for constrained diffusion-reaction systems

We consider Lie and Strang splitting for the time integration of constrained partial differential equations with a nonlinear reaction term. Since such systems are known to be sensitive with respect to perturbations, the splitting procedure seems promising as we can treat the nonlinearity separately. This has some computational advantages, since we only have to solve a linear constrained system and a nonlinear ODE. However, Strang splitting suffers from order reduction which limits its efficiency. This is caused by the fact that the nonlinear subsystem produces inconsistent initial values for the constrained subsystem. The incorporation of an additional correction term resolves this problem without increasing the computational cost. Numerical examples including a coupled mechanical system illustrate the proven convergence results