Alloying effect on phase stability, elastic and thermodynamic properties of Nb-Ti-V-Zr high entropy alloy

Liao, Mingqing; Liu, Yong; Min, Lujin; Lai, Zhonghong; Han, Tianyi; Yang, Danni; Zhu, Jingchuan

doi:10.1016/j.intermet.2018.08.003

Cited by 135 publications

(41 citation statements)

References 42 publications

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“…Until now, in the case of high entropy alloys, the study of magnetic, elasticity, and corrosion-resistance properties prevails [1,2,3,11,12,13,14,15,16,17]. The paper [18] analyses the properties of the AlCuAgTi system high entropy alloy proposed to be used for metal brazing.…”

Section: Theoretical Analysismentioning

confidence: 99%

Microstructure, Thermal, and Corrosion Behavior of the AlAgCuNiSnTi Equiatomic Multicomponent Alloy

et al. 2019

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The paper presents the microstructure and corrosion behavior of an AlTiNiCuAgSn new equiatomic multicomponent alloy. The alloy was obtained using the vacuum arc remelting (VAR) technique in MRF-ABJ900 equipment. The microstructural analysis was performed by optical and scanning electron microscopy (SEM microscope, SEM-EDS) and the phase transformations were highlighted by dilatometric analysis and differential thermal analysis (DTA). The results show that the as-cast alloy microstructure is three-phase, with an average microhardness of 487 HV0.1/15. The obtained alloy could be included in the group of compositionally complex alloys (CCA). The corrosion resistance was studied using the potentiodynamic method in saline solution with 3.5% NaCl. Considering the high corrosion resistance, the obtained alloy can be used for surface coating applications.

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Section: Theoretical Analysismentioning

confidence: 99%

Microstructure, Thermal, and Corrosion Behavior of the AlAgCuNiSnTi Equiatomic Multicomponent Alloy

et al. 2019

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“…Anisotropies are closely related to mechanical durability and the microcrack behavior of ceramics, [ 47 ] so elastic anisotropy is also crucial. In the present study, the elastic anisotropy under high pressure is evaluated by the anisotropy index A , and the expression is as follows [ 48 ] :

A = \frac{C_{V} - C_{R}}{C_{V} + C_{R}}

where C V and C R are the elastic moduli in Voigt and Reuss approximation, respectively. The zero value of A means isotropy, and the larger deviation of A value from zero corresponds to the greater elastically anisotropy.…”

Section: Resultsmentioning

confidence: 99%

“…Anisotropies are closely related to mechanical durability and the microcrack behavior of ceramics, [47] so elastic anisotropy is also crucial. In the present study, the elastic anisotropy under high pressure is evaluated by the anisotropy index A, and the expression is as follows [48] :…”

Section: F I G U R Ementioning

confidence: 99%

Mechanical behavior of high entropy carbide (HfTaZrTi)C and (HfTaZrNb)C under high pressure: Ab initio study

Jiang

Shao

Fan

et al. 2020

Int J of Quantum Chemistry

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The evolution of structural, elastic, and electronic properties of high entropy carbide (HfTaZrTi)C and (HfTaZrNb)C under high pressure have been studied within the framework of density functional theory (DFT) in conjunction with special quasirandom structures. With increasing pressure, lattice constants of high entropy carbides (HfTaZrTi)C and (HfTaZrNb)C gradually decrease, so volumes shrink, and densities gradually increase. Under high pressure up to 200 GPa, elastic stiffness coefficients for both carbides are almost linearly hardened and meet the elastic stability criteria. With increasing pressure, elastic moduli and Debye temperature of both high entropy carbides (HfTaZrTi)C and (HfTaZrNb)C increase, while theoretical Vickers hardness decreases, although Vickers hardness of (HfTaZrNb)C is always higher than (HfTaZrTi)C in the whole pressure. The ductility of (HfTaZrTi)C and (HfTaZrNb)C is improved under pressure, and brittle‐ductile transition occurs at about 50 and 60 GPa, respectively. The electronic structure demonstrates that, with increasing pressure, covalent bonds between transition metal atoms and carbon atoms are strengthened, accompanying delocalization. This effect is responsible for high values of bulk modulus and shear modulus under pressure and enhanced ductility. The ionic bonds of both high entropy carbides weaken with increasing pressure, and (HfTaZrTi)C is affected more strongly by the pressure.

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“…For high‐temperature materials, the thermodynamic properties play a crucial role in high‐temperature applications . Unfortunately, the thermodynamic properties of the B2‐type TMZr compounds are not well understood.…”

Section: Resultsmentioning

confidence: 99%

The structural, mechanical, and thermodynamic properties of B2‐type TMZr (TM = Ru, Mo, Rh, Os, and Re) compounds from first‐principles calculations

Pan

2019

Int J of Quantum Chemistry

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The B2‐type cubic Zr‐based compounds are attractive advanced high‐temperature materials because of the strong and symmetrical bonds. However, the mechanical and thermodynamic properties of the B2‐type cubic Zr‐based compounds are not well understood. Here, we use the first‐principles calculations to investigate the structural, elastic modulus, ductility, and thermodynamic properties of TMZr (TM = Ru, Mo, Rh, Os, and Re) compounds. Two novel TMZr compounds, MoZr and ReZr, are first predicted by using the phonon dispersion and formation enthalpy, respectively. The results show that the B2‐type TMZr compounds not only exhibit high elastic modulus but also show better ductility due to the symmetrical TM‐Zr metallic bonds. In particular, the calculated elastic modulus of OsZr is larger than that of the other four TMZr compounds, indicating that the OsZr shows the strongest deformation resistance in five TMZr compounds. The calculated Θ D of RuZr is 328 K, which is larger than that of the other four TMZr compounds. The calculated phonon density of state shows that the high‐temperature thermodynamic properties of TMZr derive from the vibration of Zr atom. Therefore, our work predicts that the B2‐type OsZr is an attractive high‐temperature structural material.

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Alloying effect on phase stability, elastic and thermodynamic properties of Nb-Ti-V-Zr high entropy alloy

Cited by 135 publications

References 42 publications

Microstructure, Thermal, and Corrosion Behavior of the AlAgCuNiSnTi Equiatomic Multicomponent Alloy

Microstructure, Thermal, and Corrosion Behavior of the AlAgCuNiSnTi Equiatomic Multicomponent Alloy

Mechanical behavior of high entropy carbide (HfTaZrTi)C and (HfTaZrNb)C under high pressure: Ab initio study

The structural, mechanical, and thermodynamic properties of B2‐type TMZr (TM = Ru, Mo, Rh, Os, and Re) compounds from first‐principles calculations

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