Sintering mechanism of Ag nanoparticle-nanoflake: a molecular dynamics simulation

This paper studied the behaviors of sintering between Ag nanoparticle (NP) and nanoflake (NF) in same size by molecular dynamics simulation. Before simulation, melting simulation NF was carried out to calculate points NFs investigate thermostability NF. The Lindemann index potential energy showed that were significantly size-dependent. During heating process, sharp corner transformed round could bend spontaneously lower than points. In process NF-NP a metastable stage before equilibrium. Under low temperature (500 K), degree plasticity mechanism more prominent, which generated defects, such as amorphous atoms, dislocations, stacking faults, NP-NP. sintered products also presented better neck shrinkage NP-NP size. A new behavior observed: bent toward NP during sintering. bending curvature increased thickness or length/width decreased. For with ratio 5:1, further facilitate growth. At 700 K, dominated both processes And larger diffusivity last, we investigated effects crystal misorientation, found tilted grain boundary neck. had trend rotation decrease misorientation.