Molecular dynamics study of freezing a molten Cu55 cluster on Cu(010)surface | Zendy

Zhang Zong-Ning | Zendy; Liu Mei-lin | Zendy; Wei Li | Zendy; Geng Chang-Jian | Zendy; Qian Zhao | Zendy; Zhang Lin | Zendy

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Molecular dynamics study of freezing a molten Cu55 cluster on Cu(010)surface

Author(s) -

Zhang Zong-Ning,

Liu Mei-lin,

Wei Li,

Geng Chang-Jian,

Qian Zhao,

Zhang Lin

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.58.67

Subject(s) - cluster (spacecraft) , molecular dynamics , substrate (aquarium) , materials science , atom (system on chip) , chemical physics , embedded atom model , dynamics (music) , surface (topology) , crystallography , molecular physics , atomic physics , thermodynamics , chemistry , computational chemistry , physics , oceanography , geometry , mathematics , computer science , acoustics , embedded system , programming language , geology

Structural change of a molten Cu55 cluster on Cu010 substrate during freezing at two different cooling rates is investigated by molecular dynamics simulations based on the embedded atom method. The analyses of energy per atom and pair distribution functions show that cooling processes have great influence on the structural changes. A rapid cooling rate results in the lower energy of the atoms in the cluster. At a slow cooling rate the cluster atoms in the substrate are more likely to move to the substrate surface at high temperature and then they form face-centred cubic configuration.

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