Open AccessAn atomistic simulation of structure and thermal stability of［110］Au nanowire during continuous heating
Author(s) -
Tian Hui-Chen,
Liu Li,
Wen Ye
Publication year - 2010
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.59.1952
Subject(s) - premelting , nanowire , materials science , molecular dynamics , radius , thermal stability , chemical physics , thermal , melting temperature , cluster (spacecraft) , melting point , structural stability , interatomic potential , condensed matter physics , nanotechnology , thermodynamics , physics , composite material , computational chemistry , chemistry , computer science , engineering , computer security , structural engineering , quantum mechanics , programming language
We have used molecular dynamics method with quantum corrected Sutton-Chen type many-body potentials to study the structure and thermal stability of110 Au nanowires, and investigate its melting mechanism and shape evolution by introducing the Lindemann index and the minimum radius. The results show that the transformation from fcc to hcp structure occurs in local regions of nanowire before premelting. The melting starts from surface and evolves into interior region, resulting in the overall melting of the nanowire. Subsequently, the neck occurs and induces the final breaking of nanowire into a spherical cluster.