Molecular dynamics study of structures of a Cu13 cluster supported on a Cu(001) surface at low temperatures | Zendy

Qian Zhao | Zendy; Zhang Lin | Zendy; Qi Yang | Zendy; Zhang Zong-Ning | Zendy

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Molecular dynamics study of structures of a Cu13 cluster supported on a Cu(001) surface at low temperatures

Author(s) -

Qian Zhao,

Zhang Lin,

Qi Yang,

Zhang Zong-Ning

Publication year - 2009

Publication title -

acta physica sinica

Language(s) - English

Resource type - Journals

SCImago Journal Rank - 0.199

H-Index - 47

ISSN - 1000-3290

DOI - 10.7498/aps.58.47

Subject(s) - cluster (spacecraft) , molecular dynamics , atom (system on chip) , materials science , atomic physics , molecular physics , embedded atom model , binding energy , interatomic potential , surface (topology) , chemical physics , physics , computational chemistry , chemistry , geometry , mathematics , computer science , programming language , embedded system

Structural changes of a Cu13 cluster supported on a Cu001 surface at low temperatures of 10 and 50 K are investigated through molecular dynamics simulations with using interatomic potentials from embedded atom method presented by Johnson. The calculations of atom density profiles show that the cohesive energy is affected mainly by the number and the configuration of the atoms which are directly contacted with the Cu001 surface, as well as some different configurations of the atoms at higher positions. At 10 K, the initial position of the supported cluster has a larger effect on the atomic packing and the binding energy of cluster.

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