Experimental‐Assisted Approach to Develop a Numerical Model for Simulating the Reaction Propagation in Reactive Multilayers

Abstract

One outstanding feature of self‐propagating reactions is their ability to release heat of reaction over both temporal and spatial scales, enabling the sustained progression of the reaction after a local ignition. They propagate in the form of a continuous reaction front through the mixture of the starting materials. Previous research on reactive materials has predominantly focused on unraveling the microstructure property relationships influencing released energy in reacting multilayers. This involved considering coupled differential equations, including the heat conduction equation and Fick's law. In this study, the introduction of a purely thermal numerical macroscale model is made, incorporating two states of material properties that differentiate between the thermal characteristics before and after phase formation. The homogenization of material properties before the phase formation is accomplished through the consideration of directional‐temperature‐dependent thermal conductivity and temperature‐dependent‐specific heat capacity. The energy‐release function is derived using experimental data for the reaction velocity depending on bilayer thickness. This model allows for the exploration of reaction motion and temperature profiles, achieving qualitative conformity with experimental measurements for freestanding foil, and necessitating reasonable computational effort.