Numerical modeling of self-propagating reactions in Ru/Al nanoscale multilayer foils

The Ru/Al system integrates high energy density and high product ductility and serves as an alternative for utilization as nanoscale reactive multilayer. We present a modeling study that relates the Ru-Al phase transformations occurring during self-propagating reactions with macroscopic reaction parameters such as net front velocity and reaction temperature. We coupled equations for mass and thermal transport and used a numerical scheme to solve the differential equations. We calculated the temporal evolution of the temperature distribution in the reaction front as a function of the multilayer bilayer thickness. The calculated net velocities were between 4.2 m/s and 10.8 m/s, and maximal reaction temperatures were up to 2171 K, in good agreement with measured data. Interfacial premixing, estimated to be around 4 nm, had a large influence on reaction velocities and temperature at smaller bilayer thicknesses. Finally, the theoretical results of the present study help to explain the experimental findings and guide tailoring of reactive properties of Ru/Al multilayers for applications.