TITLE
MOLECULAR DYNAMICS SIMULATION STUDY ON THE STRUCTURAL EVOLUTION OF LIQUID NICKEL NANOPARTICLES DURING RAPID COOLING
AUTHOR(S)
Cem Canan1,*, Murat Celtek2, Unal Domekeli3
ABSTRACT
Due to their critical importance for science and technology, metallic nanoparticles have become the focus of many researchers in recent years. Thanks to their unique physical and chemical properties, they have many applications, ranging from mechanics and magnetics to optoelectronics and medicine. Nano-scale solidification is a crucial stage in additive manufacturing technology, as it influences the microstructure and performance of the finished product. In this work, we have studied in detail the microstructural evolution of a liquid nickel (Ni) nanoparticle consisting of 10192 atoms during its rapid cooling using molecular dynamics (MD) simulations. The solidification points of Ni nanoparticles were estimated for different cooling rates from the change in potential energy of the system during the rapid cooling process. The microstructural evolution was analyzed in detail using pair distribution functions (PDFs), Honeycutt–Andersen (HA) pair analyses, and atomic configuration images. The results show that the cooling rate has a profound effect on the micro-structure of the solidified Ni nanoparticle. While liquid Ni nanoparticle tend to form a crystalline phase when cooled at cooling rates of 0.1, 0.5 and 1.0 K/ps,
the system tends to form a glassy structure at cooling rate of 20.0 K/ps.
DOI
How to cite this article:
Cem Canan1,*, Murat Celtek2, Unal Domekeli3, MOLECULAR DYNAMICS SIMULATION STUDY ON THE STRUCTURAL EVOLUTION OF LIQUID NICKEL NANOPARTICLES DURING RAPID COOLING, TÜRKIYE, UNITECH – SELECTED PAPERS - 2025