Transition from icosahedral to decahedral structure in a coexisting solid-liquid nickel cluster.

Melting of gold clusters

Investigations of the thermal evolution of structural and dynamic properties of gold nanocrystalline clusters of variable size ~Au75, Au146, and Au459! were performed using extensive molecular-dynamics simulations employing embedded-atom interactions. These studies reveal that the thermal evolution of these clusters is punctuated by diffusionless solid-to-solid structural transformations from t...

Electron affinity of Al13: a correlated electronic structure study.

Neutral and anionic 13-atom aluminum clusters are studied with high-level, fully ab initio methods: second-order perturbation theory (MP2) and coupled cluster theory with singles, doubles, and perturbative triples (CCSD(T)). Energies and vibrational frequencies are reported for icosahedral and decahedral isomers, and are compared with density functional theory results. At the MP2 level of theor...

Morphology transition mechanism from icosahedral to decahedral phase during growth of Cu nanoclusters

Efficient Lattice-Image Detection of Icosahedral Twins

Background: Icosahedral clustering is characteristic of the many common “face-centered-cubic metals” on the nanoscale, either in liquid [1] and/or in solid form. As the surface-to-volume ratio of a growing solid icosahedral-cluster decreases, however, bulk-atoms typically re-arrange themselves into their space-filling fcc form, turning the cluster in to a coordinated-set of paired-crystal icosa...

Getting the Hot Structures

The recent advances in levitation methods for materials processing now enable structural, thermo-physical property, and phase transition studies to be made on high temperature solids and liquids without container contamination. These studies have led to new insights into the liquid state and have revealed how local order in the liquid can dictate phase formation. In this article, levitation tec...