Mechanical properties of nickel nitrides under high pressures

Nursultan Sagatov; Dinara Sagatova

doi:10.32523/2616-6836-2024-146-1-17-30

Mechanical properties of nickel nitrides under high pressures

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Authors

Nursultan Sagatov Sobolev Institute of Geology and Mineralogy SB RAS, Novosibirsk State University, Novosibirsk https://orcid.org/0000-0001-5158-3523
Dinara Sagatova Sobolev Institute of Geology and Mineralogy SB RAS, Nikolaev Institute of Inorganic Chemistry SB RAS https://orcid.org/0000-0001-5158-3523

DOI:

https://doi.org/10.32523/2616-6836-2024-146-1-17-30

Keywords:

high pressures, nitrides, hardness, elastic moduli, density functional theory

Abstract

The mechanical properties of previously known nickel nitrides, Ni₆N-R-3, Ni₃N-P6₃22, Ni₃N-Cmcm, and Ni₇N₃-Pbca, were calculated from first principles using density functional theory at various pressures. Considered nickel nitrides are mechanically stable in the entire considered pressure ranges. It was shown that all phases are ductile and have low Vickers hardness values which are below the minimal criteria of hard materials, H_V > 20 GPa. In addition, the fracture toughness was estimated.

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Published

2024-03-29

How to Cite

Sagatov, N., & Sagatova, D. (2024). Mechanical properties of nickel nitrides under high pressures. BULLETIN OF THE L.N. GUMILYOV EURASIAN NATIONAL UNIVERSITY. PHYSICS. ASTRONOMY SERIES, 146(1), 17–30. https://doi.org/10.32523/2616-6836-2024-146-1-17-30

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Vol. 146 No. 1 (2024)

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Mechanical properties of nickel nitrides under high pressures

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