Evaluating elastic properties of a body-centered cubic NbHfZrTi high-entropy alloy – A direct comparison between experiments and ab initio calculations

Research output: Journal Publications and Reviews (RGC: 21, 22, 62)21_Publication in refereed journalpeer-review

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Author(s)

  • Y.X. Ye
  • B.L. Musico
  • Z.Z. Lu
  • L.B. Xu
  • Z.F. Lei
  • V. Keppens
  • H.X. Xu

Detail(s)

Original languageEnglish
Pages (from-to)167-173
Journal / PublicationIntermetallics
Volume109
Online published5 Apr 2019
Publication statusPublished - Jun 2019

Abstract

In this study, elastic constants of the equiatomic body-centered cubic NbHfZrTi high-entropy alloy (HEA) were experimentally evaluated using resonant ultrasound spectroscopy and compared directly with calculations based on density functional theory. Elastic properties, including Young's modulus, shear modulus, bulk modulus, Poisson's ratio, and Debye temperature, of polycrystalline aggregates were obtained from measurements and calculations, and excellent agreement was found between the experimental and theoretical data. We also made efforts to employ the rule-of-mixtures (ROM) to predict the elastic moduli of the current alloy, as well as other HEAs reported in the literature, and found that the lower-bound prediction provided a reasonable estimate of the elastic moduli of single-phase HEAs.

Research Area(s)

  • Density functional theory, Elastic anisotropy, Elastic properties, High-entropy alloy, Resonant ultrasound spectroscopy (RUS)

Citation Format(s)

Evaluating elastic properties of a body-centered cubic NbHfZrTi high-entropy alloy – A direct comparison between experiments and ab initio calculations. / Ye, Y.X.; Musico, B.L.; Lu, Z.Z.; Xu, L.B.; Lei, Z.F.; Keppens, V.; Xu, H.X.; Nieh, T.G.

In: Intermetallics, Vol. 109, 06.2019, p. 167-173.

Research output: Journal Publications and Reviews (RGC: 21, 22, 62)21_Publication in refereed journalpeer-review