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JOURNALS // Pis'ma v Zhurnal Èksperimental'noi i Teoreticheskoi Fiziki // Archive

Pis'ma v Zh. Èksper. Teoret. Fiz., 2020 Volume 111, Issue 12, Pages 806–812 (Mi jetpl6193)

This article is cited in 14 papers

CONDENSED MATTER

Point defects and their properties in the Fe$_{20}$Ni$_{20}$Cr$_{20}$Co$_{20}$Cu$_{20}$ high-entropy alloy

M. A. Kretovaa, R. A. Konchakova, N. P. Kobelevb, V. A. Khonika

a Voronezh State Pedagogical University, Voronezh, 394043 Russia
b Institute of Solid State Physics, Russian Academy of Sciences, Chernogolovka, Moscow region, 142432 Russia

Abstract: The characteristics of interstitial atoms and vacancies in the Fe$_{20}$Ni$_{20}$Cr$_{20}$Co$_{20}$Cu$_{20}$ high-entropy alloy have been determined by the molecular dynamics and statics methods. The effect of these defects on elastic moduli has been analyzed. It has been found that interstitial atoms are stable only in the form of dumbbells responsible for a significant diaelastic effect (decrease in the shear modulus). As compared to vacancies, an increase in the concentration of interstitial dumbbells much more rapidly reduces the shear modulus with an increase in the volume. Furthermore, interstitial dumbbells are responsible for the appearance of specific high- and low-frequency modes in the spectrum of the vibrational density of states. The latter modes are related to the observed diaelastic effect. The evolution of the diaelastic effect and vibrational spectrum during the transition of the system to a noncrystalline state has been studied.

Received: 27.04.2020
Revised: 27.04.2020
Accepted: 01.05.2020

DOI: 10.31857/S1234567820120034


 English version:
Journal of Experimental and Theoretical Physics Letters, 2020, 111:12, 679–684

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