Molecular dynamics simulations are used to study the exothermic alloying reactions by imposing a thermal loading on a local area of nanostructured Al/Ni clad particles. The combustion parameters, such as particles size, density, and ignition temperature, are characterized. Reducing the size of Al/Ni clad particles makes the propagation velocity of reaction front increase but lowers both the adiabatic combustion temperature and pressure of the system. However, increasing either mass density or ignition temperature makes the propagation velocity of reaction front increase and raises the adiabatic temperature and pressure as well. We estimate the propagation velocity of the chemical reaction front to range from 35.70 to 44.06 m/s.