Phase stability and mechanical properties of carbide solid solutions with 2–5 principal metals

Vorotilo, S.; Sidnov, K.; Седегов, А. С.; Abedi, Mohammad; Vorotilo, Kseniia; Moskovskikh, Dmitry

doi:10.1016/j.commatsci.2021.110869

Cited by 26 publications

(11 citation statements)

References 57 publications

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“…[23] However, the obtained values are sufficiently larger than the hardness of the copper substrate H V = 1.4 GPa. The obtained nanohardness of the HfTa 2 C 3 coating is comparable with the hardness of pure hafnium and tantalum carbides (11-15 GPa [30,31] ) and of HfTaC 2 , which equals 20-28 GPa. [23,30] High values of hardness of the synthesized coatings result from the reaction of TaC with HfC in the solution that involves the mutual substitution of the Hf and Ta atoms in the crystal lattice, which is similar to the mechanism of solid solution hardening in alloys.…”

Section: Experimental Synthesissupporting

confidence: 69%

“…The obtained nanohardness of the HfTa 2 C 3 coating is comparable with the hardness of pure hafnium and tantalum carbides (11-15 GPa [30,31] ) and of HfTaC 2 , which equals 20-28 GPa. [23,30] High values of hardness of the synthesized coatings result from the reaction of TaC with HfC in the solution that involves the mutual substitution of the Hf and Ta atoms in the crystal lattice, which is similar to the mechanism of solid solution hardening in alloys. [32] Formation of a hard coating makes it possible to harden metal substrate surfaces and increase their wear resistance.…”

Section: Experimental Synthesissupporting

confidence: 69%

Section: Resultssupporting

confidence: 53%

“…The obtained nanohardness of the HfTa 2 C 3 coating is comparable with the hardness of pure hafnium and tantalum carbides (11–15 GPa [ 30,31 ] ) and of HfTaC 2 , which equals 20–28 GPa. [ 23,30 ]…”

Section: Resultssupporting

confidence: 53%

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Large‐Scale Synthesis and Applications of Hafnium–Tantalum Carbides

Kvashnin

Никитин

Shanenkov

et al. 2022

Adv Funct Materials

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Comprehensive theoretical and experimental studies are performed to discover a new way of synthesis of HfTaC coatings. Here, an evolutionary search for stable crystal structures in the ternary HfTaC system with subsequent selective large‐scale experimental synthesis of coatings using a unique plasma dynamic experimental setup is performed. Optimization of the experimental process allows us to perform selective synthesis of coatings made of hafnium–tantalum carbides with predefined stoichiometry, crystal structure, and properties. Along with more than 70 compounds, the HfTaC system belongs to ternary and quaternary carbides of group IV and V transition metals, and this study opens the door to synthesis of a large number of functional coatings composed of other carbides including high‐entropy carbides.

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Section: Experimental Synthesissupporting

confidence: 69%

Section: Experimental Synthesissupporting

confidence: 69%

Section: Resultssupporting

confidence: 53%

Section: Resultssupporting

confidence: 53%

See 2 more Smart Citations

Large‐Scale Synthesis and Applications of Hafnium–Tantalum Carbides

Kvashnin

Никитин

Shanenkov

et al. 2022

Adv Funct Materials

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“…Another creative solution that has been considered for the manufacturing of these nanocomposites is spark plasma sintering (SPS). Several investigations have demonstrated that materials fabricated using this technology exhibit few microstructural changes and have improved mechanical, electrical, and thermal characteristics compared with those of the components produced using other approaches [ 4 , 12 , 13 , 14 , 15 , 16 ].…”

Section: Introductionmentioning

confidence: 99%

Electrical and Heat Distributions and Their Influence on the Mass Transfer during the Flash Spark Plasma Sintering of a Cu/Cr Nanocomposite: Experiments and Numerical Simulation

et al. 2022

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The nanocomposite Cu–Cr powder was consolidated by flash spark plasma sintering (FSPS), which involves applying an extremely rapid change in the electrical power passing through the bulk of the sample. It was demonstrated that an essentially fully dense material could be obtained in 15 s. Such short-term treatment typically preserves the nanostructured features of the material. However, investigation revealed a nonuniformity in the microstructure of the alloys obtained under such extreme conditions. To better understand the observed effects, the FSPS process was simulated. It was observed that a rapid change in the applied electrical power resulted in nonuniform distributions of current density and temperature along the body of the consolidated material. Specifically, the current density was higher on the periphery of the sample, and the temperature was higher in the middle. These findings explain the observed structural transformation during FSPS and suggest an optimization strategy to avoid microstructural nonuniformity.

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Prediction of Ta₂C‐Type Vacancy‐Layered Structures in the Ternary Hf–Ta–C System

Peng

Tikhonov

2023

Physica Status Solidi (b)

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Herein, the vacancy‐ordered structures in the ternary Hf–Ta–C system are investigated by the first‐principles method and evolutionary algorithms. In addition to the rocket‐salt structure, two Ta2C‐type structures, HfTa2C2 and Hf2Ta2C3, are predicted, and their space groups are determined to be R‐3m. In these two structures, the vacancy layers are formed perpendicular to the c‐axis, and the vacancies occupy the [Ta6] octahedral interstices. Furthermore, the electronic properties of HfTa2C2 and Hf2Ta2C3, such as the electron‐localization function, density of state, band structure, partial charge density, and charge–density distribution, are calculated and analyzed. It is shown in the results that the localized electrons locate in the layered vacancies originating from the Ta atoms and that they form localized metallic bonds. Therefore, HfTa2C2 and Hf2Ta2C3 exhibit higher elastic modulus and Vickers hardness than the rock‐salt structure.

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Phase stability and mechanical properties of carbide solid solutions with 2–5 principal metals

Cited by 26 publications

References 57 publications

Large‐Scale Synthesis and Applications of Hafnium–Tantalum Carbides

Large‐Scale Synthesis and Applications of Hafnium–Tantalum Carbides

Electrical and Heat Distributions and Their Influence on the Mass Transfer during the Flash Spark Plasma Sintering of a Cu/Cr Nanocomposite: Experiments and Numerical Simulation

Prediction of Ta₂C‐Type Vacancy‐Layered Structures in the Ternary Hf–Ta–C System

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Phase stability and mechanical properties of carbide solid solutions with 2–5 principal metals

Cited by 26 publications

References 57 publications

Large‐Scale Synthesis and Applications of Hafnium–Tantalum Carbides

Large‐Scale Synthesis and Applications of Hafnium–Tantalum Carbides

Electrical and Heat Distributions and Their Influence on the Mass Transfer during the Flash Spark Plasma Sintering of a Cu/Cr Nanocomposite: Experiments and Numerical Simulation

Prediction of Ta2C‐Type Vacancy‐Layered Structures in the Ternary Hf–Ta–C System

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Prediction of Ta₂C‐Type Vacancy‐Layered Structures in the Ternary Hf–Ta–C System