6533b86efe1ef96bd12cbc27

RESEARCH PRODUCT

Structural transitions and melting of copper clusters

M. ManninenSeppo Valkealahti

subject

FusionMolecular dynamicsMaterials scienceTransition metalchemistryChemical physicsIcosahedral symmetryCondensed Matter::SuperconductivityMelting temperatureCoordination numberchemistry.chemical_elementCopperAtomic and Molecular Physics and Optics

description

Molecular dynamics is used to study the melting and structural transitions of small copper clusters. The melting temperature is found to be proportional to the average coordination number. Small icosahedral clusters melt at slightly higher temperatures than the cubic structures. Small cuboctahedral clusters are not stable but transform via a nondiffusive transition to icosahedral structure.

https://doi.org/10.1007/bf01429161