Open AccessEffect of temperature on the structure of Cu/Si composite Janus nanoparticles
Author(s) -
N. V. Yumozhapova,
А. В. Номоев,
Н. А. Романов,
Э. Ч. Хартаева
Publication year - 2021
Publication title -
iop conference series. materials science and engineering
Language(s) - English
Resource type - Journals
eISSN - 1757-899X
pISSN - 1757-8981
DOI - 10.1088/1757-899x/1198/1/012013
Subject(s) - nanoparticle , composite number , materials science , molecular dynamics , janus , lattice (music) , crystal structure , copper , chemical physics , structural change , work (physics) , janus particles , nanotechnology , crystallography , composite material , thermodynamics , chemistry , computational chemistry , metallurgy , physics , acoustics , economics , macroeconomics
This work determined the effect of temperature on the formation of composite Cu/Si nanoparticles by the molecular dynamics (MD) method. For the first time, the temperature dependence of the potential energy of hybrid nanoparticles, which were single-crystal spherical clusters cut from an ideal lattice, was studied. It is shown that phase transitions and structural ordering cause a sharp change in the potential energy of composite nanoparticles. The structural arrangement of copper nanoparticles at high temperatures was found.