Diffusion and thermite reaction process of film-honeycomb Al/NiO nanothermite: Molecular dynamics simulations using ReaxFF reactive force field
(color online) Time evolutions of chemical bonds during thermite reaction. (a) Al–O bond profile with Φ values of 1.20, 1.55, and 1.90 under onset temperature of 500 K, (b) Al–O bond profile with Φ of 1.90 for onset temperatures of 500 K, 600 K, and 700 K, (c) Al–Ni bond profiles with Φ values of 1.20, 1.55, and 1.90 under onset temperature of 500 K, (d) Al–Ni bond profiles with Φ of 1.90 for onset temperatures of 500 K, 600 K, and 700 K.
