Open AccessBifurcation phenomenon in molecular dynamics model of coalescence/sintering on the nanoscale
Author(s) -
V. M. Samsonov,
V. V. Puytov,
I. V. Talyzin
Publication year - 2021
Publication title -
journal of physics. conference series
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.21
H-Index - 85
eISSN - 1742-6596
pISSN - 1742-6588
DOI - 10.1088/1742-6596/2052/1/012037
Subject(s) - sintering , coalescence (physics) , isothermal process , molecular dynamics , materials science , bifurcation , melting temperature , nanoscopic scale , atmospheric temperature range , nanoparticle , thermodynamics , chemical physics , metallurgy , nanotechnology , chemistry , composite material , physics , computational chemistry , nonlinear system , quantum mechanics , astrobiology
Using the isothermal molecular dynamics, coalescence/sintering of Au nanoparticles (NPs) was simulated. We have found that the solid NP sintering scenario is switched to the coalescence scenario not at the NP melting temperature T m exactly but at a lower temperature T 0 ≈ 0.9 T m interpreted as the critical temperature corresponding to a coalescence/sintering bifurcation phenomenon: in the temperature range from T 0 – 2 K to T 0 + 2 K to the resulting (daughter) NPs of the same size can have either liquid-like or crystalline structure after coalescence/sintering at the same fixed temperature.