Open AccessMolecular dynamics study of freezing a molten Cu55 cluster on Cu(010)surface
Author(s) -
张宗宁,
刘美林,
李蔚,
耿长建,
赵骞,
张林
Publication year - 2009
Publication title -
wuli xuebao
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.