Open AccessPhase transition and coalescence behavior of fcc Fe nanoparticles: a molecular dynamics study
Author(s) -
Z. G. Wang,
Lei Wu,
Y. Zhang,
Yushi Wen,
文玉华
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.60.096105
Subject(s) - nanoparticle , materials science , coalescence (physics) , molecular dynamics , chemical physics , phase transition , phase (matter) , diffusionless transformation , melting point , thermodynamics , nanotechnology , martensite , microstructure , composite material , computational chemistry , physics , chemistry , astrobiology , quantum mechanics
In this paper, we present a systematic investigation on phase transition and coalescence behavior of fcc Fe nanoparticles under heating by molecular dynamics approach with Finnis-Sinclair many-body potential. The simulation results show that for fcc Fe nanoparticles, the martensitic transformation from fcc to bcc phase occurs prior to the melting. Relative rotation occurs between two like nanoparticles, but it does not happen in two nanoparticles with different sizes. A small nanoparticle prfers to adhere to a large one and is melted with temperature increasing, resulting in the final formation of a larger particle.