Molecular dynamics simulation of alloying in a Ti-coated Al nanoparticle

► Molecular dynamics study of the alloying reaction in a Ti-coated Al nanoparticle. ► The final product of the reaction is the undercooled liquid alloy. ► The adiabatic temperature of the reaction is much lower than the melting point. ► The amorphous structure of TiAl alloy is relatively stable against crystallization. ► The possibility of the alloying reaction synthesis of the nanostructured TiAl.