Molecular dynamics simulation of the kinetic sintering of Ni and Al nanoparticles

Compaction simulation of nano-crystalline metals with molecular dynamics analysis

“…The nano-particles are set at the distance of 0.2 nm from each other, and 0.25 nm from the die-walls. It has been shown that the inter-atomic potential of the embedded-atom method (EAM) can be applied efficiently in molecular dynamics analysis of Ni, Al and mixed NiAl atoms with sufficient accuracy [15,20,21]. Due to versatility and accuracy of the EAM inter-atomic potential in modeling of large atomic systems, Henz et al …”

“…One of the most popular techniques proposed by researches to study the behavior of nano-particles is based on the molecular dynamics (MD) method [14][15][16][17][18][19]. In this regard, Henz et al [14] performed the MD analysis to verify the energetic reaction of the nickel and aluminum nano-particles.…”

Investigation on sintering mechanism of nanoscale tungsten powder based on atomistic simulation

“…MD simulations of sintering for silicon [22][23][24][25], nickel [26,27], aluminum [28] and titanium dioxide [29][30][31] have been performed extensively to investigate the effect of energy release on the size and shape of particles, phenomenological models and size effects. Zacharia et al [32] also found the effect of coalescence energy by kinetic Monte Carlo simulations.…”

Molecular dynamics study of reaction pathways in an Al-coated Ni nanoparticle

“…It was observed [12,13] that the final reaction product is very similar to compressed Ni 3 Al liquid. In [14,15], MD simulations with an EAM potential [32,33] were used to investigate the kinetic sintering of separate [14,15] and coated [15] liquid Al and solid Ni nanoparticles with an atomic ratio of Al and Ni equal to unity. It was assumed [14,15] that the reactions begin with the reactants at 600 K where Al is liquid while Ni is solid.…”