Open AccessEffects of initial temperature and cooling rate on freezing behaviors of metallic clusters
Author(s) -
Guojian Li,
Qiang Wang,
Yongze Cao,
Xiao Lü,
Donggang Li,
Jicheng He
Publication year - 2011
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.60.093601
Subject(s) - materials science , freezing point , thermodynamics , metal , molecular dynamics , chemistry , physics , metallurgy , computational chemistry
The effects of initial temperature and cooling rate on the freezing behaviors of clusters Co531, Cu531, and Ni531 are studied by the molecular dynamics with a general embedded atom method. The results show that their freezing points are obviously influenced by initial temperature and cooling rate. Higher initial temperature or smaller cooling rate results in a higher freezing point. The variations of freezing structures for all clusters with the change of freezing condition are different. The icosahedron is formed for Cu531 and Ni531 in spite of their different freezing points. The HCP structure similar to the Co bulk is formed for Co531 under higher initial temperature and smaller cooling rate, the icosahedron is formed for other conditions.