High Entropy Alloys: Elastic Parameters and Trends

Huang, Shuo; Vitos, Levente

doi:10.1016/b978-0-12-803581-8.11714-x

Cited by 6 publications

(5 citation statements)

References 84 publications

Supporting

Mentioning

Contrasting

Order By: Relevance

“…As shown in figure 9, the calculated f Y for all considered HEAs are close to 1, and decrease slightly with increasing temperature. It is worth mentioning that the present results confirm the previous findings that the hcp-structured HEAs are elastically more isotropic than most of the reported fcc-and/or bcc-structured HEAs to date [56,57].…”

Section: Polycrystalline Elastic Modulisupporting

confidence: 92%

Thermo-elastic behavior of hexagonal Sc–Ti–Zr–Hf high-entropy alloys

Huang¹,

Cheng²,

Лю³

et al. 2022

J. Phys. D: Appl. Phys.

View full text Add to dashboard Cite

Recent advance in tuning the long-standing strength-ductility tradeoff draw attention to high-entropy alloys (HEAs), and the appearance of the hexagonal close-packed (hcp) structure is emphasized. However, few studies have explored the elastic moduli of the hcp HEAs, which is of prime importance to improve the understanding of the outstanding mechanical properties. In this work, we focus on a set of equiatomic rare-earth-free HEAs with the hcp structure, i.e., ScTiZr, ScTiHf, ScZrHf, TiZrHf, and ScTiZrHf, and their thermo-elastic properties are studied using quantum mechanical first-principles methods. It is found that for all considered HEAs, the hexagonal axial ratio shows a weak dependence on the temperature effect, and the thermal expansion coefficient remains almost unchanged above room temperature. From the calculated temperature dependent single-crystal elastic constants, we analyzed the mechanical stability, elastic anisotropy, and derived polycrystalline moduli. Results indicate that the present HEAs exhibit rather high elastic isotropy and large elastic softening resistance. The ab initio predicted Young’s modulus, shear modulus, and specific modulus do not obey the rule of mixture, which indicates that there exists a strong intrinsic hardening effect in all of the considered HEAs. The calculated results are in good agreement with the available experimental measurements.

show abstract

Section: Polycrystalline Elastic Modulisupporting

confidence: 92%

Thermo-elastic behavior of hexagonal Sc–Ti–Zr–Hf high-entropy alloys

Huang¹,

Cheng²,

Лю³

et al. 2022

J. Phys. D: Appl. Phys.

View full text Add to dashboard Cite

show abstract

“…To further verify the advantages of elastic properties, in addition to the research on Young’s modulus, the current research on Bio-HEAs involves single-crystal elastic constant, polycrystalline elastic modulus, and Debye temperature ( Huang and Vitos, 2022 ). The single-crystal elastic constant C ij describes the response of a material to an external load and can be determined from the stress-strain and or energy-strain relationships ( Chanda et al, 2021 ).…”

Section: Mechanical Propertiesmentioning

confidence: 99%

Bio-high entropy alloys: Progress, challenges, and opportunities

Feng

Tang

Liu

et al. 2022

Front. Bioeng. Biotechnol.

View full text Add to dashboard Cite

With the continuous progress and development in biomedicine, metallic biomedical materials have attracted significant attention from researchers. Due to the low compatibility of traditional metal implant materials with the human body, it is urgent to develop new biomaterials with excellent mechanical properties and appropriate biocompatibility to solve the adverse reactions caused by long-term implantation. High entropy alloys (HEAs) are nearly equimolar alloys of five or more elements, with huge compositional design space and excellent mechanical properties. In contrast, biological high-entropy alloys (Bio-HEAs) are expected to be a new bio-alloy for biomedicine due to their excellent biocompatibility and tunable mechanical properties. This review summarizes the composition system of Bio-HEAs in recent years, introduces their biocompatibility and mechanical properties of human bone adaptation, and finally puts forward the following suggestions for the development direction of Bio-HEAs: to improve the theory and simulation studies of Bio-HEAs composition design, to quantify the influence of composition, process, post-treatment on the performance of Bio-HEAs, to focus on the loss of Bio-HEAs under actual service conditions, and it is hoped that the clinical application of the new medical alloy Bio-HEAs can be realized as soon as possible.

show abstract

“…To obtain the accuracy needed for the calculation of elastic constants, we chose ´20 20 20 k-points mesh in the irreducible wedge of the monoclinic and orthorhombic Brillouin zones. The accuracy of the EMTO method for the equation of state and elastic properties of high-entropy alloys has been demonstrated in many previous works [20,21,50,51].…”

Section: Computational Detailsmentioning

confidence: 89%

First-principles study of the phase stability and elastic properties of TiVNbMoM (M = Al, Sc, Ni and Cu) high entropy alloys

Al-Zoubi

2023

Phys. Scr.

View full text Add to dashboard Cite

The ab initio exact muffin-tin orbitals (EMTO) method in combination with the coherent potential approximation (CPA) were used to study the influence of alloying elements M = Al, Sc, Ni and Cu on the phase stability, lattice constants, elastic constants, polycrystalline elastic moduli and electronic structure of equiatomic and non-equiatomic TiVNbMoM refractory high entropy alloys. The agreement between our results and the available experimental and theoretical data is quite good. It was found that the equiatomic systems are stable in the body-centered cubic (bcc) structure. Alloying elements decrease the stability of the bcc against the face-centered cubic (fcc) and the hexagonal close-packed (hcp) structures. Scandium enlarges the lattice constants of equiatomic and non-equiatomic systems significantly. According to the calculated bulk modulus to shear modulus, Poisson’s ratio and Vickers hardness, all studied equiatomic and non-equiaomic systems are found to be ductile. However, alloying elements Al, Ni and Cu reduce the ductility and improve the hardness of equiatomic and non-equiatomic TiVNbMoM systems, while the ductility (hardness) of non-equiatomic systems enhances (reduces) by substitution with Sc element. The present theoretical results provide insight for the design and improvement of high entropy alloys and complete information on the alloying effects.

show abstract

High Entropy Alloys: Elastic Parameters and Trends

Cited by 6 publications

References 84 publications

Thermo-elastic behavior of hexagonal Sc–Ti–Zr–Hf high-entropy alloys

Thermo-elastic behavior of hexagonal Sc–Ti–Zr–Hf high-entropy alloys

Bio-high entropy alloys: Progress, challenges, and opportunities

First-principles study of the phase stability and elastic properties of TiVNbMoM (M = Al, Sc, Ni and Cu) high entropy alloys

Contact Info

Product

Resources

About