Micromechanical modeling of shock-induced chemical reactions in heterogeneous multi-material powder mixtures

Shock waves create a unique environment of high pressure, temperature, strain rate, and gradients thereof. Chemical reactions that occur in this regime can lead to the synthesis of new materials that are not possible under conventional conditions. Shock-induced chemical reactions (also known as shock synthesis) is difficult to study experimentally due to the small time and space scales over which it occurs. To aid in our understanding, numerical simulations of shock-induced chemical reactions (SICR) are performed on the mesoscopic level. The model reaction, Nb+2Si⇌NbSi2, is chosen for this research because it has been studied extensively. Comparisons of the calculated results with the available experimental data are presented to validate the modeling process, and additional calculations are used to determine the reaction threshold.