A single-phase ScTiZrHf high-entropy alloy with thermally stable hexagonal close-packed structure

Упоров, С. А.; Эстемирова, С. Х.; Быков, В. А.; Zamyatin, D. A.; Ryltsev, R. E.

doi:10.1016/j.intermet.2020.106802

Cited by 33 publications

(10 citation statements)

References 44 publications

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“…In present analysis, we have calculated the elastic constants (six SOECs and ten TOECs) using interaction potential model. The unit cell parameters 'a' (basal plane parameter) and 'p' (axial ratio) for ScTiZrHf are 3.185 Å and 1.573 respectively [35]. The chosen value of m and n for high entropy alloy are 6 and 7.…”

Section: Higher Order Elastic Constantsmentioning

confidence: 99%

“…ScTiZrHf high entropy alloys had the highest elastic constant values, which are the significant for the material, since they are associated with the hardness parameter. SOECs are used to determine the UA and associated parameters [35,36]. Higher order elastic constant values found for high entropy alloys are indicative of their better mechanical properties over other entropy alloys of the similar group.…”

Section: Higher Order Elastic Constantsmentioning

confidence: 99%

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Elastic, Mechanical and Thermophysical properties of Single-Phase Quaternary ScTiZrHf High-Entropy Alloy

Rai

Chaurasiya

Yadawa

2021

Phys. Chem. Solid St.

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Consequent to the interaction potential model, the high-order elastic constants at high entropy alloys in single-phase quaternary ScTiZrHf have been calculated at different temperatures. Elastic constants of second order (SOECs) helps to determine other ultrasonic parameters. With the help of SOECs other elastic moduli, bulk modulus, shear modulus, Young’s modulus, Pugh’s ratio, elastic stiffness constants and Poisson’s ratio are estimated at room temperature for elastic and mechanical characterization. The other ultrasonic parameters are calculated at room temperature for elastic and mechanical characterization. The temperature variation of ultrasonic velocities along the crystal's z-axis is evaluated using SOECs. The temperature variation of the average debye velocity and the thermal relaxation time (τ) are also estimated along this orientation axis. The ultrasonic properties correlated with elastic, thermal and mechanical properties which is temperature dependent is also discussed. The ultrasonic attenuation due to phonon – phonon (p-p) interactions is also calculated at different temperatures. In the study of ultrasonic attenuation such as a function of temperature, thermal conductivity appears to be main contributor and p- p interactions are the responsible reason of attenuation and found that the mechanical properties of the high entropy alloy ScTiZrHf are superior at room temperature.

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Section: Higher Order Elastic Constantsmentioning

confidence: 99%

Section: Higher Order Elastic Constantsmentioning

confidence: 99%

Elastic, Mechanical and Thermophysical properties of Single-Phase Quaternary ScTiZrHf High-Entropy Alloy

Rai

Chaurasiya

Yadawa

2021

Phys. Chem. Solid St.

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“…2) is that hcp alloys are present in both Domain I and III. Several HEAs alloys have been found to contain hcp structure [3,34,61,62,64,65,68,74].…”

Section: Alloys With Hcp Structurementioning

confidence: 99%

Prediction of phase, hardness and density of high entropy alloys based on their electronic structure and average radius

Calvo-Dahlborg

Mehraban

Lavery

et al. 2021

Journal of Alloys and Compounds

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HAL is a multi-disciplinary open access archive for the deposit and dissemination of scientific research documents, whether they are published or not. The documents may come from teaching and research institutions in France or abroad, or from public or private research centers. L'archive ouverte pluridisciplinaire HAL, est destinée au dépôt et à la diffusion de documents scientifiques de niveau recherche, publiés ou non, émanant des établissements d'enseignement et de recherche français ou étrangers, des laboratoires publics ou privés.

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“…[ 4,9 ] So, the fabrication of HCP MPEAs is an important goal, being intriguing from both scientific and application viewpoints. [ 10 ] Recently, several HCP MPEAs composed of rare‐earth (RE) metals have been first synthesized, [ 11–13 ] including TmGdTbDyLu, YGdTbDyLu, YGdTbDyHo, and YGdTbLaHo, because similar atomic sizes, electronegativity, crystalline, and electronic structure allow the formation of random solid solutions. Unfortunately, these HCP RE MPEAs lack pronounced solid‐solution hardening due to the similar size and structure of constituent elements.…”

Section: Introductionmentioning

confidence: 99%

“…However, the high prices limit their applications and development. More recently, a promising class of HCP MPEAs based on refractory elements have been found, [ 6,8,10,17 ] especially TiZrHf and TiZrHfSc MPEAs are attracting increasingly the great research interesting.…”

Section: Introductionmentioning

confidence: 99%

Influence of Local Lattice Distortion on Elastic Properties of Hexagonal Close‐Packed TiZrHf and TiZrHfSc Refractory Alloys

Meng

Duan

Chen

et al. 2021

Physica Status Solidi (b)

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The unique mechanical properties and local lattice distortion (LLD) for hexagonal close‐packed (HCP) multiple principal element alloys (MPEAs) are very rarely studied so far. Employing density functional theory calculation based on special quasirandom structure, this work studies the influences of LLD on elastic properties for both novel hexagonal TiZrHf(Sc) MPEAs. Compared to the pristine structures, the lattice stability of distorted random structures is improved evidently. Moreover, LLD obviously lessens the shear elastic properties, which may be an ubiquitous phenomenon irrespective of the lattice types of MPEAs. These results also uncover the apparent improvement in malleable behavior and shear anisotropy for HCP MPEAs. So, the influence of LLD on elastic properties for HCP MPEAs is profound. The degree of LLD is further studied via the standard deviation of near‐neighbor (NN) and next NN bond length distributions as an effective indicator of LLD. More significant distortion uncovered in TiZrHf alloy corresponds consistently to the stronger effects of LLD in TiZrHf alloy. Bader's charge and charge density distribution also demonstrate the underlying impact on LLD for both HCP MPEAs, so electronic nature is a significant factor for LLD. The present study provides guideline for designing mechanical properties of TiZrHf‐based HCP MPEAs engineering materials.

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A single-phase ScTiZrHf high-entropy alloy with thermally stable hexagonal close-packed structure

Cited by 33 publications

References 44 publications

Elastic, Mechanical and Thermophysical properties of Single-Phase Quaternary ScTiZrHf High-Entropy Alloy

Elastic, Mechanical and Thermophysical properties of Single-Phase Quaternary ScTiZrHf High-Entropy Alloy

Prediction of phase, hardness and density of high entropy alloys based on their electronic structure and average radius

Influence of Local Lattice Distortion on Elastic Properties of Hexagonal Close‐Packed TiZrHf and TiZrHfSc Refractory Alloys

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