Software implementation of the 3D-simulation procedure of SHS macrokinetics in the Ni-Al porous model medium with the closest packing of “mesocells”

Abstract

The methodological features of the procedure for modeling the SHS macrokinetics in the model "etalon" structure of the densest packing of the so-called “mesocells” in the form of balls of the same radius are considered. In the center of the mesocell there is a spherical Ni particle (radius RNi = 30 μm), around which aluminum particles of radius RAl = 10 μm are contained in a spherical interlayer with a thickness of 20 μm. The etalon structure is formed by a program that takes into account the distribution of mesocells in the structure of the closest packing (alternating flat layers with square symmetry). A technique for numerical solution of the heat conduction equation using an implicit scheme of bicyclic splitting based on the symmetric Krank-Nicholson scheme is implemented. Together with the bicyclic splitting scheme, a procedure is implemented for numerically solving the diffusion kinetics equation in mesocells. For computational speedup, the parallelization schemes of cycles are used, which determine the main time costs for performing "runs" in grid computing schemes.