Metals

Molecular dynamics study of mechanical properties of crystalline and amorphous nickel nanoparticles

G. M. Poletaev^a, V. V. Kovalenko<sup>b

a</sup> Altai State Technical University
^b Siberian State Industrial University, Novokuznetsk

Abstract: The molecular dynamics method was used to study the compression deformation of nickel nanoparticles with crystalline and amorphous structures. It was shown that the strength of the nanoparticles increases with increasing deformation rate, and decreases with increasing temperature. Anisotropy of mechanical properties occurs during deformation of single-crystal nanoparticles. In particular, the compressive strength along the [111] and [110] directions was found to be approximately 30–40% greater than the compressive strength along the [112] direction. As the size of the nanoparticles, both single-crystal and amorphous, decreased, their strength increased, and the value of deformation at which the maximum stress was achieved also increased. One of the possible reasons for the influence of particle size on its strength in the case of an amorphous structure may be compaction and partial crystallization of the structure near the points of load application.

Keywords: molecular dynamics, nanoparticle, compression, deformation, amorphous structure.

Received: 14.05.2025
Revised: 22.06.2025
Accepted: 30.07.2025

DOI: 10.61011/FTT.2025.08.61308.119-25

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