Beilstein Arch. 2025, 20256. https://doi.org/10.3762/bxiv.2025.6.v1
Published 04 Feb 2025
The paper presents a mathematical model for studying the magnetic behavior of atoms, which takes into account spin and interatomic interactions. Two problems were solved by means of mathematical modeling. At the first stage, the problem of modeling a small nanosystem (500 atoms) consisting of cobalt atoms was solved. The purpose of this stage of computational experiment was to check the convergence of the solution and compare the obtained data with the results of other studies. The performed calculations and satisfactory correspondence to the previously obtained data confirmed the adequacy of the applied mathematical model. The second stage of numerical studies was devoted to the analysis of the magnetic behavior of cobalt nanofilms of different thicknesses. It was shown that the film thickness has a significant influence on the magnetic parameters of the modeled nanosystems. It was found that the magnetic energy and magnetization norm of the system change in a nonlinear manner with increasing number of crystalline layers of the nanofilm. The peaks found on the graph of the magnetization rate change can be caused by surface effects in thin films and the formation of Neel domain walls.
Keywords: Mathematical modeling, molecular dynamics, LAMMPS, MEAM, spin dynamics, ferromagnet
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Fedotov, A. Y.; Severyukhina, O. Y.; Salomatina, A. Y.; Sidorenko, A. S. Beilstein Arch. 2025, 20256. doi:10.3762/bxiv.2025.6.v1
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