PT Journal
AU Bajtosova, L
   Mysickova, M
   Staffenova, N
   Chocholakova, E
   Hanus, J
   Fikar, J
   Cieslar, M
TI In Situ TEM and Molecular Dynamics Investigation of Grain Growth in Nanocrystalline Cu Nanoparticles
SO Manufacturing Technology Journal
PY 2025
BP 576
EP 581
VL 25
IS 5
DI 10.21062/mft.2025.072
DE Cu nanoparticles; Grain growth; Nanocrystalline grains; ACOM TEM; Molecular dynamics
AB The thermal stability of nanocrystalline Cu nanoparticles was investigated using a combination of in situ TEM annealing experiments and molecular dynamics (MD) simulations. Nanoparticles prepared by a gas aggregation source exhibit an average size of ~100 nm and are predominantly polycrystalline, with grains of ~25 nm. Upon annealing up to 600 °C, the particles preserve their external morphology without signs of sintering, while their internal structure evolves through progressive grain growth. Orientation mapping revealed an increase in Σ3 and other special boundaries, consistent with the tendency of grain boundary networks to evolve toward low-energy configurations. MD simulations partially reproduce the general coarsening process and the formation of nearly monocrystalline particles, but predominantly produce {111} stacking faults rather than Σ3 twins. This discrepancy is attributed to the limited timescale and idealized initial conditions of the simulations compared with the defect-rich experimental particles.
ER