Theoretical investigation on the elastic and mechanical properties of high-entropy alloys with partial replacement of Sc in Hf0.25Ti0.25Zr0.25Sc0.25−x Al x (x ≤ 15 %)

Author:

Maddheshiya Ajit Kumar1,Singh Shakti Pratap2,Singh Devraj3,Yadav Phool Singh1,Yadav Raja Ram1,Yadav Thakur Prasad14

Affiliation:

1. Department of Physics , University of Allahabad , Prayagraj 211002 , India

2. Department of Physics , Government Polytechnic, Kuru, Pindra , Varanasi 221206 , India

3. Department of Physics , Prof. Rajendra Singh (Rajju Bhaiya) Institute of Physical Sciences for Study and Research Veer Bahadur Singh Purvanchal University , Jaunpur 222003 , India

4. Department of Physics , Institute of Science, Banaras Hindu University , Varanasi 221005 , India

Abstract

Abstract The theoretical assessment of mechanical and elastic properties is used to analyze the distinctive properties of high entropy alloys (HEAs) at room temperature. Using Lennard–Jones potential model, the second order elastic constants (SOECs) and third order elastic constants (TOECs) have been determined for the HEAs Hf0.25Ti0.25Zr0.25Sc0.25−x Al x (x ≤ 15 %) in their hexagonal close-packed (hcp) phases. SOECs have been used to calculate mechanical constants, Poisson’s ratio, Pugh’s ratio, Kleinman’s parameter. In order to determine the anisotropic behaviour of the selected HEAs, the elastic anisotropy has also been computed at room temperature. All the HEAs under consideration have anisotropy parameters that are not equal to one, indicating anisotropic behaviour. Later, the Grüneisen parameters were estimated for the chosen HEAs Hf0.25Ti0.25Zr0.25Sc0.25−x Al x (x ≤ 15 %) along longitudinal and shear modes of wave propagation. Analysis of the research results reveals the inherent properties of HEAs.

Publisher

Walter de Gruyter GmbH

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy,Mathematical Physics

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