Investigating Coalescence Kinetics in Cu Nanoparticle by Molecular Dynamics and 3D Reconstruction

Abstract

This study presents a dual approach combining molecular dynamics simulations and experimental analysis to explore the sintering behavior of copper (Cu) nanoparticles. Our simulation model comprises 240 nanoparticles, through which we systematically examine the coalescence kinetics during the sintering process. The simulations provide a detailed view of the particle interactions, structural evolution, and the mechanisms driving nanoparticle fusion at the atomic level. Complementing the simulations, we conducted 3D reconstructions using Focused Ion Beam Scanning Electron Microscopy (FIB-SEM) to characterize the microstructure of the sintered nanoparticles. This hybrid approach not only deepens our understanding of the fundamental processes governing the sintering of Cu nanoparticles but also bridges the gap between theoretical predictions and experimental observations, offering insights into the optimization of sintering processes in practical applications.