Microstructure and elastic constants of AlTiVMoNb refractory high-entropy alloy coating on Ti6Al4V by laser cladding

Chen, Lin; Zhang, Xiaowei; Yue-yi, Wang; Hao, Xuanhong; Liu, Hongxi

doi:10.1088/2053-1591/ab49e7

Cited by 19 publications

(10 citation statements)

References 55 publications

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“…Its negative or positive values indicate the brittleness or ductility of materials, respectively. 51,53,54 Poisson's ratio is defined as the induced length variations in the perpendicular direction to the loading direction. 47 Frantsevich et al proposed that a lesser or greater value than 0.26 of Poisson's ratio indicates that the material is brittle or ductile, respectively.…”

Section: Resultsmentioning

confidence: 99%

“…51 The velocity of the sound waves, as a thermal parameter, depends on the oscillation modes of the particles and provides useful information about thermo-mechanical properties of the material such as thermal conductivity, specific heat, the Debye temperature, and so forth. 54 In general, propagation of sound waves in solids takes place through longitudinal and transverse waves. Transverse waves move in the perpendicular direction to the longitudinal waves.…”

Section: Resultsmentioning

confidence: 99%

“…The Cauchy pressure criterion ( P cauchy = ( C 12 – C 44 )/2), defining the type and angular property of atomic bonds in metals, has the critical value of 0. Its negative or positive values indicate the brittleness or ductility of materials, respectively. ,, Poisson’s ratio is defined as the induced length variations in the perpendicular direction to the loading direction . Frantsevich et al.…”

Section: Resultsmentioning

confidence: 99%

“…Sound waves propagate in the matter through vibrations of the particles at their equilibrium interatomic distance . The velocity of the sound waves, as a thermal parameter, depends on the oscillation modes of the particles and provides useful information about thermo-mechanical properties of the material such as thermal conductivity, specific heat, the Debye temperature, and so forth . In general, propagation of sound waves in solids takes place through longitudinal and transverse waves.…”

Section: Resultsmentioning

confidence: 99%

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Investigation of Mechanical, Thermal, Electrical, and Hydrogen Diffusion Properties in Ternary V–Ti–X Alloys: A Density Functional Theory Study

2022

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The effects of alloying and hydrogen dissolution on the mechanical, thermal, and electrical properties of vanadiumbased ternary alloys were investigated using density functional theory. Our study showed that pure V has a lower solution energy than V−Ti−X alloys. Also, tetrahedral interstitial sites are more favorable than octahedral sites to be occupied by the H atoms. Furthermore, the alloys with eight H atoms have a lower capacity than the pure V system for H-trapping at interstitial sites. These findings suggest that H-dissolution in alloys is less probable than in pure V, and the alloys are more resistant to hydrogen embrittlement, crack propagation, and fracture initiation. Indeed, V−Ti−Al shows a reliable performance and could be a viable non-Pd alloy for hydrogen separation. Studying the mechanical properties of pure V and the ternary alloys revealed that V−Ti−Ni provides the highest durability and better resistance to both external and hydrogen dissolution-induced internal stresses. The V−Ti−Pd alloy has a higher diffusion barrier energy (E b = 0.1807 eV) than pure V (E b = 0.1646 eV), indicating that the H atom faces more hindrance when it diffuses across the alloy. Nonetheless, in the hydrogen separation temperature range, the V−Ti−Pd alloy has the largest thermal expansion coefficient (α = 2.048×10 −5 K −1 ), which indicates its poor thermal characteristics. Altogether, the superior mechanical properties of the V−Ti−Ni alloy indicate that it will be resistant to deformation and have a long service life in hydrogen separation applications. The V−Ti−Ni alloy has a higher heat capacity than the others, which is important in exothermic processes like hydrogen separation.

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Section: Resultsmentioning

confidence: 99%

Section: Resultsmentioning

confidence: 99%

Section: Resultsmentioning

confidence: 99%

Section: Resultsmentioning

confidence: 99%

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Investigation of Mechanical, Thermal, Electrical, and Hydrogen Diffusion Properties in Ternary V–Ti–X Alloys: A Density Functional Theory Study

2022

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“…Several theoretical density functional theory (DFT) studies [ 9 , 10 , 11 , 12 , 13 , 14 ] and experimental work [ 15 , 16 , 17 ] are performed to obtain the elastic characteristics of RHEAs. However, understanding of elastic constants of body-centered cubic (BCC) of RCCAs is still restricted because of a lack of high-efficiency data generation methods.…”

Section: Introductionmentioning

confidence: 99%

Predicting Elastic Constants of Refractory Complex Concentrated Alloys Using Machine Learning Approach

et al. 2022

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Refractory complex concentrated alloys (RCCAs) have drawn increasing attention recently owing to their balanced mechanical properties, including excellent creep resistance, ductility, and oxidation resistance. The mechanical and thermal properties of RCCAs are directly linked with the elastic constants. However, it is time consuming and expensive to obtain the elastic constants of RCCAs with conventional trial-and-error experiments. The elastic constants of RCCAs are predicted using a combination of density functional theory simulation data and machine learning (ML) algorithms in this study. The elastic constants of several RCCAs are predicted using the random forest regressor, gradient boosting regressor (GBR), and XGBoost regression models. Based on performance metrics R-squared, mean average error and root mean square error, the GBR model was found to be most promising in predicting the elastic constant of RCCAs among the three ML models. Additionally, GBR model accuracy was verified using the other four RHEAs dataset which was never seen by the GBR model, and reasonable agreements between ML prediction and available results were found. The present findings show that the GBR model can be used to predict the elastic constant of new RHEAs more accurately without performing any expensive computational and experimental work.

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Effect of the point defect of silicon carbide cladding on mechanical properties: a molecular-dynamics study

Rabiee,

Hassanzadeh,

Sakhaeinia

et al. 2024

Chem. Pap.

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Microstructure and elastic constants of AlTiVMoNb refractory high-entropy alloy coating on Ti6Al4V by laser cladding

Cited by 19 publications

References 55 publications

Investigation of Mechanical, Thermal, Electrical, and Hydrogen Diffusion Properties in Ternary V–Ti–X Alloys: A Density Functional Theory Study

Investigation of Mechanical, Thermal, Electrical, and Hydrogen Diffusion Properties in Ternary V–Ti–X Alloys: A Density Functional Theory Study

Predicting Elastic Constants of Refractory Complex Concentrated Alloys Using Machine Learning Approach

Effect of the point defect of silicon carbide cladding on mechanical properties: a molecular-dynamics study

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