Effects of Particle Size and Oxide Shell Thickness on the Oxidation Characteristics of Core–Shell Aluminum Nanoparticles Using Molecular Dynamics Simulation
Aluminum nanoparticles (ANPs) possess a core–shell structure, yet the coupled roles of atomic stress and interfacial charge transfer in their slow-heating oxidation remain elusive. This study employs ReaxFF molecular dynamics simulations to investigate the oxidation of six core–shell ANPs with different particle sizes...