1. Evaluating elastic properties of a body-centered cubic NbHfZrTi high-entropy alloy – A direct comparison between experiments and ab initio calculations
- Author
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Zizhe Lu, T.G. Nieh, Brianna L. Musico, Liubin Xu, Youxiong Ye, V. Keppens, Haixuan Xu, and Z.F. Lei
- Subjects
010302 applied physics ,Resonant ultrasound spectroscopy ,Bulk modulus ,Materials science ,Mechanical Engineering ,Metals and Alloys ,Thermodynamics ,Modulus ,02 engineering and technology ,General Chemistry ,Cubic crystal system ,021001 nanoscience & nanotechnology ,01 natural sciences ,Shear modulus ,symbols.namesake ,Mechanics of Materials ,Ab initio quantum chemistry methods ,0103 physical sciences ,Materials Chemistry ,symbols ,0210 nano-technology ,Elastic modulus ,Debye model - 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.
- Published
- 2019
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