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

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

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

We have used molecular dynamics simulations to construct a microcanonical caloric curve for a 1415 atom Ni icosahedron. Prior to melting, the Ni cluster exhibits static solid-liquid phase coexistence. Initially, a partial icosahedral structure coexists with a partially wetting melt. However, at energies very close to the melting point the icosahedral structure is replaced by a truncated decahed...

THE ICOSAHEDRAL Al-Li-Cu PHASE

Formation of an icosahedral structure during the freezing of gold nanoclusters: surface-induced mechanism.

The freezing behavior of gold nanoclusters was studied by employing molecular dynamics simulations based on the semiempirical embedded-atom method. Investigations of the gold nanoclusters revealed that, just after freezing, ordered nanosurfaces with a fivefold symmetry were formed with interior atoms remaining in the disordered state. Further lowering of temperatures induced nanocrystallization...

Molecular dynamics simulation of the growth of Cu nanoclusters from Cu ions in a plasma