Harvesting nucleating structures in nanoparticle crystallization: The example of gold, silver, and iron
Arthur France-Lanord,
Sarath Menon,
Julien Lam
Abstract:The thermodynamics and kinetics of nanoparticle crystallization, as opposed to bulk phases, may be influenced by surface and size effects. We investigate the importance of such factors in the crystallization process of gold, silver, and iron nanodroplets using numerical simulations in the form of molecular dynamics combined with path sampling. This modeling strategy is targeted at obtaining representative ensembles of structures located at the transition state of the crystallization process. A structural analy… Show more
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