Computer 3D-simulation of the temperature and diffusion kinetics of SHS in the closest packing of Ni@Al “core-shell” mesocells for modes with variable values of the key ignition parameters

Abstract

The paper presents the results of computer 3D-simulation of the temperature and diffusion kinetics of SHS in a test model cluster of Ni-Al particles for modes with variable values of the key parameters of the SHS combustion wave ignition. The key parameters for the SHS combustion wave ignition were chosen as follows: the initial temperature for preliminary heating of the Ni-Al particles mixture, the ignition temperature of the combustion wave in the mixture of Ni-Al particles, the duration of the action of the heat pulse until the combustion wave ignition, and the thickness of the ignited layer in the mixture of particles. A program has been created to generate a test model cluster in the form of the closest ball packing of the Ni@Al “core-shell” mesocells (CBP-structure cluster of the Ni@Al “core-shell” mesocells). Using such a CBP-structure cluster, was continued a testing of created software package intended for 3D-simulation of SHS macrokinetics in a heterogeneous particle mixture, taking into account parallel MPI-calculations. In addition, the value ranges of the key parameters of the SHS combustion wave ignition for which the simulation results are in adequate agreement with the experimental data are determined as the parameters of the program model for SHS-simulation. The results of computational experiments have shown that diffusion kinetics is interrelated with temperature kinetics, and in mesocells with different locations within the CBP-structure cluster, the formation of intermetallic phases occurs inhomogeneously.