Morphological evolution of an Au crystalline domain in a nano-particle investigated by Bragg coherent diffraction imaging

Abstract

Understanding the dynamic structural evolution of metallic nanoparticles is crucial for tailoring their functional properties. In this study, we utilized three-dimensional coherent X-ray diffraction to investigate the morphological transformation of Au nanocrystalline domains in a multi-domain nanoparticle during in-situ annealing. By combining Bragg coherent diffraction imaging with autocorrelation function analysis, we observed a transformation from an anisotropic multi-domain configuration toward a single crystalline equilibrium morphology. Above 600 degrees Celsius, a small subsidiary domain merged into the primary domain, which was continuously coarsened at 625 degrees Celsius, resulting in a more isotropic morphology. Finally, at 635 degrees Celsius, the low-energy {111} and {100} facets emerged, and the crystal shape converged toward an equilibrium truncated octahedral geometry. This work demonstrates a framework for interpreting complex domain dynamics, offering fundamental insights into domain growth and equilibrium shape formation.