Open AccessMolecular dynamics investigation of thermal stability of Pt-Au core-shell nanoparticle
Author(s) -
王 志剛,
黄娆,
文玉华
Publication year - 2013
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.62.126101
Subject(s) - materials science , nanoparticle , molecular dynamics , shell (structure) , melting point , melting temperature , thermal stability , core (optical fiber) , melting point depression , chemical physics , embedded atom model , atom (system on chip) , nanotechnology , thermal , atmospheric temperature range , chemical engineering , thermodynamics , composite material , chemistry , computational chemistry , physics , embedded system , computer science , engineering
In this paper, we have examined the thermal stability of Pt-Au core-shell nanoparticle by using molecular dynamics simulations with embedded-atom potential. The results show that the melting point of Pt-Au core-shell nanoparticle is significantly higher than that of pure Au one but lower than that of Pt one. By the analyses of Lindemann index, it is discovered that the melting first occurs in Au shell, then spreads into interior, finally the overall melting of Pt core appears. The temperature range of melting is much broader for Pt-Au core-shell nanoparticle than for Au and Pt nanoparticles. Moreover, Pt-Au core-shell nanoparticle exhibits a distinct two-stage melting during continuous heating, and the structure of solid (core)-liquid (shell) coexistence has been observed between two meltings.