Influence of shell thickness on thermal stability of bimetallic Al–Pd nanoparticles

摘要: Aluminum-based bimetallic core–shell nanoparticles have shown promising applications in civil and defense industries. This study addresses the thermal stability of aluminum–palladium (Al–Pd) core/shell with a varying shell thickness 5, 6, 7 A, respectively. The classic molecular dynamics (MD) simulations are performed order to investigate effects on ignition mechanism subsequent energetic processes these nanoparticles. histograms temperature change structural evolution clearly show inhibition role Pd during ignition. While nanoparticle thicker is more thermally stable hence requires excess energy, stored as potential energy provided through numerically heating, initiate thermite reaction, higher adiabatic can be produced from this nanoparticle, thanks its greater content Pd. two-stage reactions discussed their activation based balance MD heating production. Analyses simulation results reveal that inner pressure increases both absorbed which may result breakup shell.