Initial stage of the coalescence process exemplifying on Ag nanoparticles
A.A. Cherepovskaya, D.A. Ryzhkova
Khakass State University
DOI: 10.26456/pcascnn/2025.17.506
Original article
Abstract: Understanding the formation and evolution of metal nanoparticle arrays is a very important task, as they are increasingly used in various technical devices. The size and shape of nanoparticles, as well as the distance between them, have a great influence on their properties. Coalescence is one of the main processes that are responsible for changing these geometric parameters of the nanoparticle array. In the case of metal nanoparticles, it was found that their aggregation depends on their mutual crystalline orientation, resulting in various mechanisms of association. The influence of the crystalline orientation of nanoparticles on the coalescence mechanism was confirmed by molecular dynamics simulations. The coalescence of silver nanoparticles of various diameters was studied; the distance between the particles varied from 0,5 to 1,5 nm, and the simulation time corresponded to 200 ps. The actual appearance and structure of the studied nanoparticles were determined using OVITO and XMakemol visualizers. Analysis of the results showed that, in the case of silver nanoparticles, coalescence in most cases occurs by the oriented attachment growth mechanism.
Keywords: silver, nanoparticles, structure, coalescence, computer simulations, tight-binding
- Arina A. Cherepovskaya – Master of Science of specialty «Modern digital technologies in education», Khakass State University
- Daria A. Ryzhkova – Senior Lecturer, Department of Mathematics, Physics and Information Technology, Khakass State University
For citation:
Cherepovskaya A.A., Ryzhkova D.A. Nachalnaya stadiya protsessa koalestsentsii na primere nanochastits Ag [Initial stage of the coalescence process exemplifying on Ag nanoparticles], Fiziko-khimicheskie aspekty izucheniya klasterov, nanostruktur i nanomaterialov [Physical and chemical aspects of the study of clusters, nanostructures and nanomaterials], 2025, issue 17, pp. 506-513. DOI: 10.26456/pcascnn/2025.17.506. ⎘
Full article (in Russian): download PDF file
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