Physical and chemical aspects of the study of clusters, nanostructures and nanomaterials
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Analysis of thermal stability of the internal structure of Ag-Cu nanoparticles

A.A. Cherepovskaya, S.L. Gafner, Yu.Ya. Gafner, D.A. Ryzhkova

Khakass State University

DOI: 10.26456/pcascnn/2024.16.XXX

Original article

Abstract: Binary nanoparticles of the copper-silver alloy of are of great practical interest due to the possibility of fine-tuning their physical and chemical properties by changing the composition, size, shape and structure of nanoparticles. The processes of formation of the internal structure of Ag-Cu nanoparticles with a diameter from 2.0 to 8.0 nm during their crystallization with three different rates of thermal energy dissipation were studied by the molecular dynamics method. The features of this process were found to be dependent on the target chemical composition of nanoparticles, their size and the intensity of the thermal energy dissipation. The actual appearance and structure of the studied nanoparticles were determined using OVITO and xmakemol visualizers. It was shown that as a result of crystallization from the melt of binary Ag-Cu nanoparticles, metastable states that are sufficiently stable at room temperature (300 K), and the stability of such states after annealing at a temperature of 600 K is also evaluated.

Keywords: binary alloys, copper, silver, nanoparticles, structure, crystallization, metastable states, computer modeling, strong coupling

  • Arina A. Cherepovskaya – Master of Science of specialty «Modern digital technologies in education», Khakass State University
  • Svetlana L. Gafner – Dr. Sc., Docent, Professor of the Department of Mathematics, Physics and Information Technology, Khakass State University
  • Yury Ya. Gafner – Dr. Sc., Professor, Chief of the Department of Mathematics, Physics and Information Technology, Khakass State University
  • Daria A. Ryzhkova – 4th year postgraduate student, Senior Lecturer, Department of Mathematics, Physics and Information Technology, Khakass State University

Reference:

Cherepovskaya, A.A. Analysis of thermal stability of the internal structure of Ag-Cu nanoparticles / A.A. Cherepovskaya, S.L. Gafner, Yu.Ya. Gafner, D.A. Ryzhkova // Physical and chemical aspects of the study of clusters, nanostructures and nanomaterials. — 2024. — I. 16. — P. __-__. DOI: 10.26456/pcascnn/2024.16.XXX. (In Russian).

Full article (in Russian): download PDF file

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