Reaction pathway of Ni/Al clad particles under thermal loading: A molecular dynamics simulation.

Highlights: [•] The reaction pathway of nanostructure clad particles with Ni/Al=3:1 is from NiAl to Ni3Al compound. [•] The size of Ni/Al clad particles plays a key role in the presence of NiAl precipitate. [•] The rate of reaction of system under thermal loading on local region is more rapid compared to that of system under thermal loading on whole system. [•] The propagation of reaction front is limited by mass transfer for 3Ni+Al clad particles. [ABSTRACT FROM AUTHOR]