Morphological evolution of irregularly shaped Au nanoparticles during the sintering process and their mechanical performance

YO Yildiz, COMPUTATIONAL PARTICLE MECHANICS, 10, 1659-1667 (2023).

DOI: 10.1007/s40571-023-00580-3

This paper's main aim is to improve the understanding of the sintering process. For this purpose, the irregularly-shaped nanoparticles were generated by using a new generation algorithm. Following the generation of atomistic models, different sintering scenarios were carried out to discover the best way of the sintering process for molecular dynamic simulations. Meanwhile, the morphological evolution of irregularly- shaped gold (Au) nanoparticles was examined during the different sintering scenarios. Additionally, adaptive common neighbor analysis (aCNA) is carried out to observe the evolution of the morphology of atomistic models. Moreover, the mechanical behaviour was investigated by using molecular dynamic analyses.

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