Tuesday, March 22, 2022
Room 310, Online seminar via Webex
Volokhova A.V

Numerical study of two nonlinear models of condensed matter physics using parallel computing

A numerical study of two mathematical models of physical processes described by initial boundary value problems for systems of nonlinear partial differential equations is carried out. Both models require massive calculations in a wide range of parameters to find conditions for the adequate reproduction of the dynamic characteristics of the phenomena under study observed in the experiments. The first model is a polaron model of the formation of hydrated electron states. The second one is a model of the passage of gas condensate mixtures through a porous medium, including the stabilization mode and the depletion mode.
A mathematical formulation of the problem, the developed computational scheme and software complexes using MPI parallel programming technology are presented for each model. The results of numerical simulation are compared with the experimental data. The results of test calculations confirm the effect of parallel implementation.
It is shown that the considered approaches are adequate for the reproduction of the experimental data on the formation of photoexcited electrons in water under the action of laser irradiation and on the passage of a multicomponent hydrocarbon gas-condensate mixture through a porous medium in the stabilization mode and in the depletion mode.
The program modules, which implement parallel versions of the partition algorithm and the Runge-Kutta method in relation to the tasks under consideration, are designed as separate functions and are available via the JINRLIB electronic library for free access within other applications.

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