RT Journal Article
SR Electronic
A1 Bajtošová, Lucia
A1 Myšičková, Mia
A1 Štaffenová, Nikoleta
A1 Chochoľaková, Elena
A1 Hanuš, Jan
A1 Fikar, Jan
A1 Cieslar, Miroslav
T1 In Situ TEM and Molecular Dynamics Investigation of Grain Growth in Nanocrystalline Cu Nanoparticles
JF Manufacturing Technology Journal
YR 2025
VO 25
IS 5
SP 576
OP 581
DO 10.21062/mft.2025.072
UL https://journalmt.com/artkey/mft-202505-0012.php
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.