Crystallinity dynamics of gold nanoparticles during sintering or coalescence

Abstract

The crystallinity of gold nanoparticles during coalescence or sintering is investigated by molecular dynamics. The method is validated by the attainment of the Au melting temperature that increases with increasing particle size approaching the Au melting point. The morphology and crystal dynamics of nanoparticles of (un)equal size during sintering are elucidated. The characteristic sintering time of particle pairs is determined by tracing their surface area evolution during coalescence. The crystallinity is quantified by the disorder variable indicating the system's degree of disorder. The atoms at the grain boundaries are amorphous, especially during particle adhesion and during sintering w..