Molecular dynamics simulations of the freezing of gold nanoparticles
Department of Chemistry, University of Michigan, Ann Arbor, MI48109, USA
Corresponding author: a firstname.lastname@example.org
Published online: 15 September 2001
A set of molten gold clusters, each with 1157 gold atoms, was studied by molecular dynamics simulations as the clusters underwent freezing at three different temperatures. Most of the clusters attained an icosahedral structure upon freezing, a structure found to be stable to mild annealing. Other structures observed were imperfect truncated decahedral, truncated octahedral and hexagonal close packed structures. The role of kinetics in the process of cluster solidification is discussed.
PACS: 36.40.Ei – Phase transitions in clusters / 61.46.+w – Nanoscale materials: clusters, nanoparticles, nanotubes, and nanocrystals
© EDP Sciences, Società Italiana di Fisica, Springer-Verlag, 2001