PT  - JOURNAL ARTICLE
AU  - Bajtošová, Lucia
AU  - Myšičková, Mia
AU  - Štaffenová, Nikoleta
AU  - Chochoľaková, Elena
AU  - Hanuš, Jan
AU  - Fikar, Jan
AU  - Cieslar, Miroslav
TI  - In Situ TEM and Molecular Dynamics Investigation of Grain Growth in Nanocrystalline Cu Nanoparticles
DP  - 2025 Dec 8
TA  - Manufacturing Technology Journal
PG  - 576--581
VI  - 25
IP  - 5
AID - 10.21062/mft.2025.072
IS  - 12132489
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.