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Keywords = tantalum carbides

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21 pages, 4577 KiB  
Review
Recent Advances in Tantalum Carbide MXenes: Synthesis, Structure, Properties, and Novel Applications
by Mingfeng Li, Li Xu, Mengdi Guo, Hao Shang, Xiao Luo and Yanan Ma
Crystals 2025, 15(6), 558; https://doi.org/10.3390/cryst15060558 - 11 Jun 2025
Viewed by 903
Abstract
Tantalum carbide MXenes, notably Ta4C3Tx and Ta2CTx, exhibit distinctive physicochemical properties that distinguish them from the well-studied Ti3C2Tx MXene. The combination of exceptional electrochemical properties, efficient photothermal conversion, and [...] Read more.
Tantalum carbide MXenes, notably Ta4C3Tx and Ta2CTx, exhibit distinctive physicochemical properties that distinguish them from the well-studied Ti3C2Tx MXene. The combination of exceptional electrochemical properties, efficient photothermal conversion, and tunable surface terminations highlights the versatility of Ta-MXenes. These characteristics render them highly valuable for versatile applications. This minireview summarizes recent progress in tantalum carbide MXenes and their composites, focusing on applications in energy storage, conversion, sensing, and biomedicine. First, synthesis methods for tantalum carbide MXenes are summarized. Subsequently, their key properties are discussed, followed by a systematic review of diverse applications. Finally, this review offers a summary and outlook on the challenges and opportunities in the field of tantalum carbide MXenes research. Full article
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11 pages, 3341 KiB  
Article
Carburization of Tantalum Metal Powder Using Activated Carbon
by Seonmin Hwang and Dongwon Lee
Materials 2025, 18(12), 2710; https://doi.org/10.3390/ma18122710 - 9 Jun 2025
Viewed by 320
Abstract
Tantalum carbide (TaC) is a highly refractory material with a melting point of 4153 K, making it attractive for applications requiring excellent hardness and thermal stability. In this study, we investigated the carburization behavior of high-purity tantalum metal powder synthesized by magnesium thermal [...] Read more.
Tantalum carbide (TaC) is a highly refractory material with a melting point of 4153 K, making it attractive for applications requiring excellent hardness and thermal stability. In this study, we investigated the carburization behavior of high-purity tantalum metal powder synthesized by magnesium thermal reduction of Ta2O5, using activated carbon and graphite as carbon sources under high vacuum. Carburization was conducted at 1100–1400 °C for durations of 5–20 h. Carbon contents were analyzed via combustion analysis, and activation energies were calculated based on Arrhenius plots. The results showed that the activated carbon significantly enhanced carbon uptake compared to graphite due to its higher porosity and surface reactivity. The formation and transformation of carbide phases were confirmed via X-ray diffraction, revealing a progression from Ta to Ta2C and eventually to single-phase TaC with increasing carbon content. Scanning electron microscopy (SEM) analysis showed that fine particles formed on the surface as carbon content increased, indicating local nucleation of TaC. Although the theoretical carbon content of stoichiometric TaC (6.22 wt.%) was not fully achieved, the near-theoretical lattice parameter (4.4547 Å) was approached. These findings suggest that activated carbon can serve as an effective carburizing agent for the synthesis of TaC under vacuum conditions. Full article
(This article belongs to the Special Issue Low-Carbon Technology and Green Development Forum)
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14 pages, 3853 KiB  
Article
A Near-Ultraviolet Photodetector Based on the TaC: Cu/4 H Silicon Carbide Heterostructure
by Salah Abdo, Khalil As’ham, Ambali Alade Odebowale, Sanjida Akter, Amer Abdulghani, Ibrahim A. M. Al Ani, Haroldo Hattori and Andrey E. Miroshnichenko
Appl. Sci. 2025, 15(2), 970; https://doi.org/10.3390/app15020970 - 20 Jan 2025
Cited by 1 | Viewed by 1077
Abstract
Photodetectors (PDs) based on 4H silicon carbide (SiC) have garnered significant interest due to their exceptional optoelectronic properties. However, their photoresponse is typically restricted to the ultraviolet (UV) region, with limited light absorption beyond 380 nm, which constrains their utility in visible light [...] Read more.
Photodetectors (PDs) based on 4H silicon carbide (SiC) have garnered significant interest due to their exceptional optoelectronic properties. However, their photoresponse is typically restricted to the ultraviolet (UV) region, with limited light absorption beyond 380 nm, which constrains their utility in visible light detection applications. To overcome this limitation, an efficient photodetector was developed using an alloy with TaC (80%) and Cu (20%) on a 4H n-type SiC substrate, enabling effective light detection at 405 nm. The device exhibited high performance with a high photoresponsivity of 1.66 AW1 and a specific detectivity of 2.69×108 Jones at 405 nm. The superior performance of the device is ascribed to the enhanced electrical conductivity and optical absorption of the TaC: Cu layer on the 4H SiC substrate, particularly in the near-ultraviolet region. This photodetector combines ease of fabrication with significant performance improvements, expanding the potential applications of 4H SiC in high-temperature optoelectronics. It also introduces a promising pathway for enhancing 4H SiC-based photodetection capabilities across broader spectral ranges. Full article
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23 pages, 14649 KiB  
Article
Microstructure, Mechanical, and Tribological Behaviour of Spark Plasma Sintered TiN, TiC, TiCN, TaN, and NbN Ceramic Coatings on Titanium Substrate
by Ganesh Walunj, Amit Choudhari, Satyavan Digole, Anthony Bearden, Omar Kolt, Praful Bari and Tushar Borkar
Metals 2024, 14(12), 1437; https://doi.org/10.3390/met14121437 - 14 Dec 2024
Cited by 3 | Viewed by 1308
Abstract
Titanium (Ti) is widely used in structural, maritime, aerospace, and biomedical applications because of its outstanding strength-to-weight ratio, superior corrosion resistance, and excellent biocompatibility. However, the lower surface hardness and inferior wear resistance of the Ti and Ti alloys limit their industrial applications. [...] Read more.
Titanium (Ti) is widely used in structural, maritime, aerospace, and biomedical applications because of its outstanding strength-to-weight ratio, superior corrosion resistance, and excellent biocompatibility. However, the lower surface hardness and inferior wear resistance of the Ti and Ti alloys limit their industrial applications. Coating Ti surfaces can initiate new possibilities to give unique characteristics with significant improvement in the Ti component’s functionality. The current research designed and synthesized titanium nitride (TiN), titanium carbide (TiC), titanium carbonitride (TiCN), tantalum nitride (TaN), and niobium nitride (NbN) ceramic coating layers (400 µm) over a Ti substrate using a spark plasma sintering process (SPS). The coatings on the Ti substrate were compact and consolidated at an SPS temperature of 1500 °C, pressure of 50 MPa, and 5 min of holding time in a controlled argon atmosphere. Microstructure investigation revealed a defect-less coating-substrate interface formation with a transition/diffusion zone ranging from 10 µm to 20 µm. Among all of the ceramic coatings, titanium carbide showed the highest improvement in surface hardness, equal to 1817 ± 25 HV, and the lowest coefficient of friction, equal to 0.28 for NbN. Full article
(This article belongs to the Special Issue Design and Development of Metal Matrix Composites)
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14 pages, 21628 KiB  
Article
Oxidation Behavior and Creep Resistance of Cast MC-Strengthened CoNiFeMnCr HEAs at 1100 °C
by Patrice Berthod and Lionel Aranda
Micro 2024, 4(4), 751-764; https://doi.org/10.3390/micro4040046 - 3 Dec 2024
Viewed by 899
Abstract
The reinforcement of cast Cantor’s-type high-entropy alloys by MC carbides and their effect on the hot oxidation behavior were investigated. Three equimolar CoNiFeMnCr alloys without or with carbon and with either hafnium or tantalum were elaborated. Their as-cast microstructures were specified. Oxidation tests [...] Read more.
The reinforcement of cast Cantor’s-type high-entropy alloys by MC carbides and their effect on the hot oxidation behavior were investigated. Three equimolar CoNiFeMnCr alloys without or with carbon and with either hafnium or tantalum were elaborated. Their as-cast microstructures were specified. Oxidation tests were carried out in air at 1100 °C. Flexural creep tests were performed at 1100 °C at 10 MPa. The carbide-free CoNiFeMnCr alloy was single-phased. The version with Hf and C added and the one with Ta and C added contained interdendritic eutectic script HfC and TaC carbides, respectively. After oxidation for 50 h at 1100 °C, all alloys were covered by a (Cr,Mn)2O3 scale with various proportions of Cr and Mn. HfO2 or CrTaO4 also formed. Oxidation resulted in a deep depletion in Cr and in Mn in the subsurface. Oxidation is much faster for the three alloys by comparison with chromia-forming alloys. Their bad oxidation behavior is obviously due to Mn and protection by coating is to be considered. The creep deformation of the carbide-free CoNiFeMnCr alloy was very fast. The creep resistance of the two versions reinforced by either HfC or TaC deformed much slower. The addition of these MC carbides led to a deformation rate divided by five to ten times. Now, creep behavior comparisons with commercial alloys are to be conducted. They will be performed soon. Full article
(This article belongs to the Section Microscale Materials Science)
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17 pages, 13596 KiB  
Article
Experimental Evaluation of Nano Coating on the Draft Force of Tillage Implements and Its Prediction Using an Adaptive Neuro-Fuzzy Inference System (ANFIS)
by Saeed Mehrang Marani, Gholamhossein Shahgholi, Mariusz Szymanek and Wojciech Tanaś
AgriEngineering 2024, 6(2), 1218-1234; https://doi.org/10.3390/agriengineering6020069 - 29 Apr 2024
Cited by 1 | Viewed by 1139
Abstract
The effect of coating a flat blade surface with titanium nitride nano coatings (TiN), nano tantalum carbide (TaC), Fiberglass (Glass Fiber-Reinforced Polymer) (GFRP), Galvanized Steel (GAS), and St37 (SST37) was investigated in order to decrease the adhesion of soil on tilling tools, external [...] Read more.
The effect of coating a flat blade surface with titanium nitride nano coatings (TiN), nano tantalum carbide (TaC), Fiberglass (Glass Fiber-Reinforced Polymer) (GFRP), Galvanized Steel (GAS), and St37 (SST37) was investigated in order to decrease the adhesion of soil on tilling tools, external friction and, ultimately, the draft force. The soil tank, which was filled with soil of the desired conditions, was pulled on the bearing on the rail. A S-shaped load cell was used to measure the draft force. Tests were conducted at a distance of 2 m and speeds of 0.1, 0.2, and 0.3 m·s−1 at a depth of 10 cm. A model based on input factors, including blade travel speed, rake angle, and cohesion and adhesion of soil–blade, was developed in an adaptive neuro-fuzzy inference system (ANFIS), and draft force was the output parameter. To verify the performance of the developed model using ANFIS, a relative error(ε) of 6.1% and coefficient of determination (R2) of 0.956 were computed. It was found that blades coated with Nano (TiN-TaC), due to its hydrophobic surface, flatness, and self-cleaning properties, have considerable ability to decrease adhesion in wet soils and showed a linear relationship with draft force reduction. Full article
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20 pages, 28669 KiB  
Article
Chemical Vapor Deposition of Tantalum Carbide in the TaBr5–CCl4–Cd System
by Tibor Krenicky, Oleg Y. Goncharov, Jiri Kuchar, Irina V. Sapegina, Jan Kudlacek, Ravil R. Faizullin, Alexander I. Korshunov and Daniel Cerny
Coatings 2024, 14(5), 547; https://doi.org/10.3390/coatings14050547 - 27 Apr 2024
Cited by 1 | Viewed by 1713
Abstract
The tantalum carbide coatings were deposited on substrates made of 12Kh18N10T steel, ZhC6 alloy, and molybdenum by reduction of TaBr5 and CCl4 vapors with cadmium vapors at temperatures of 950–1000 K. The average deposition rate of coatings on molybdenum was ~5 [...] Read more.
The tantalum carbide coatings were deposited on substrates made of 12Kh18N10T steel, ZhC6 alloy, and molybdenum by reduction of TaBr5 and CCl4 vapors with cadmium vapors at temperatures of 950–1000 K. The average deposition rate of coatings on molybdenum was ~5 μm/h, on ZhC6 alloy was ~6 μm/h, and on 12Kh18N10T steel was ~8 μm/h. The coatings were formed as columnar grains on the substrate surface and as a diffuse layer in the substrate material. The surface layers contained mainly tantalum monocarbide TaCy (y = 0.72–0.86) and a small fraction of tantalum. The coatings on the surface of ZhC6 alloy and 12Kh18N10T steel flaked off with increasing thickness, which was due to different thermal expansion of the coating and substrate, as well as concentration inhomogeneity and phase transitions in the substrate material during coating deposition and during the heating and cooling processes. Full article
(This article belongs to the Section Surface Characterization, Deposition and Modification)
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14 pages, 28820 KiB  
Article
Research on Coated Tool Life and Wear in Ta-2.5W Alloy Turning
by Bo Hu, Zhengqing Liu, Yang Wu, Qiucheng Wang and Dayu Shu
Materials 2024, 17(7), 1481; https://doi.org/10.3390/ma17071481 - 24 Mar 2024
Cited by 2 | Viewed by 1490
Abstract
Due to its inherent high hardness, strength, and plasticity, tantalum–tungsten (Ta-W) alloy poses a considerable challenge in machining, resulting in pronounced tool wear, diminished tool lifespan, and suboptimal surface quality. This study undertook experiments utilizing uncoated carbide tools, TiAlN-coated carbide tools, and AlTiN-coated [...] Read more.
Due to its inherent high hardness, strength, and plasticity, tantalum–tungsten (Ta-W) alloy poses a considerable challenge in machining, resulting in pronounced tool wear, diminished tool lifespan, and suboptimal surface quality. This study undertook experiments utilizing uncoated carbide tools, TiAlN-coated carbide tools, and AlTiN-coated carbide tools for machining Ta-2.5W alloy. The investigation delved into the intricacies of surface temperature, tool longevity, and the distinctive wear characteristics under varying coating materials and cutting parameters. Concurrently, a comprehensive exploration of the wear mechanisms affecting the tools was conducted. Among the observed wear modes, flank wear emerged as the predominant issue for turning tools. Across all three tool types, adhesive wear and diffusion wear were identified as the principal wear mechanisms, with the TiAlN-coated tools displaying a reduced level of wear compared to their AlTiN-coated counterparts. The experimental findings conclusively revealed that TiAlN-coated carbide tools exhibited an extended tool lifespan in comparison to uncoated carbide tools and AlTiN-coated carbide tools, signifying superior cutting performance. Full article
(This article belongs to the Special Issue Advances in Metal Coatings for Wear and Corrosion Applications)
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11 pages, 1902 KiB  
Article
Temperature-Dependent Young’s Modulus of TaC- and TiC-Strengthened Co-Re-Based Alloys
by Torben Fiedler, Eugen Seif, Hans-Rainer Sinning and Joachim Rösler
Metals 2024, 14(3), 324; https://doi.org/10.3390/met14030324 - 11 Mar 2024
Cited by 1 | Viewed by 1675
Abstract
The knowledge of Young’s modulus is important for a quantitative assessment of strengthening contributions in CoRe alloys, such as strengthening by carbides. In this work, the temperature-dependent Young‘s modulus of monocarbide-strengthened CoRe-based alloys is measured using the vibrating reed technique. In this method, [...] Read more.
The knowledge of Young’s modulus is important for a quantitative assessment of strengthening contributions in CoRe alloys, such as strengthening by carbides. In this work, the temperature-dependent Young‘s modulus of monocarbide-strengthened CoRe-based alloys is measured using the vibrating reed technique. In this method, a reed-shaped sample is excited electrostatically, and the eigenfrequencies are determined. Using these frequencies, Young’s modulus can be derived analytically or, more reliably, assisted by finite element simulations. The resulting values for Young’s modulus are compared to theoretical estimations, and the influence of titanium- and tantalum-carbides on Young’s modulus is evaluated. It was found that low amounts of carbides increase Young’s modulus significantly. Analytical estimations are in good agreement with experimental results of TaC-containing alloys, whereas estimations for TiC-containing alloys are inaccurate. Full article
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11 pages, 3150 KiB  
Article
Cutting Performance and Tool Wear of AlCrN- and TiAlN-Coated Carbide Tools during Milling of Tantalum–Tungsten Alloy
by Jiahao Wang, Zhengqing Liu, Yang Wu, Qiucheng Wang and Dayu Shu
Machines 2024, 12(3), 170; https://doi.org/10.3390/machines12030170 - 1 Mar 2024
Cited by 2 | Viewed by 2281
Abstract
Tantalum–tungsten alloys have been widely used in different industrial sectors—for example, in chemical, medical, aerospace, and military equipment. However, they are usually difficult to cut because of the large cutting force, rapid tool wear, and poor surface finish during machining. This paper presents [...] Read more.
Tantalum–tungsten alloys have been widely used in different industrial sectors—for example, in chemical, medical, aerospace, and military equipment. However, they are usually difficult to cut because of the large cutting force, rapid tool wear, and poor surface finish during machining. This paper presents the machining performance and cutting tool wear of AlCrN/TiAlN-coated carbide tools during the milling process of Ta-2.5W. The effects of cutting parameters on the cutting forces and surface roughness of AlCrN/TiAlN-coated carbide tools were obtained and analyzed. The results show that the wear resistance of AlCrN-coated tools is better than that of TiAlN-coated tools, and that the main wear mechanisms of both cutting tools are crater wear, adhesive wear, and diffusion wear. Compared to TiAlN-coated tools, AlCrN-coated tools reduced the cutting forces by 1% to 15% and decreased the surface roughness by 6% to 20%. A cutting speed within the range of 80–120 m/min can ensure a low cutting force while maintaining good surface roughness, which is more conducive to machining Ta-2.5W. Full article
(This article belongs to the Section Material Processing Technology)
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14 pages, 5049 KiB  
Article
Effect of Melt Superheating Treatment on the Microstructures and Purity of a Directionally Solidified Superalloy
by Yi Li, Qifei Zhang, Xiaogang You and Jianbing Qiang
Crystals 2023, 13(12), 1632; https://doi.org/10.3390/cryst13121632 - 25 Nov 2023
Cited by 2 | Viewed by 1699
Abstract
In this paper, the effects and the mechanisms of melt superheating treatment (MST) on a directionally solidified alloy were investigated. The mass loss rate of the superalloy becomes severe as the MST temperature rises. The chromium, tantalum, and hafnium are the primary evaporation [...] Read more.
In this paper, the effects and the mechanisms of melt superheating treatment (MST) on a directionally solidified alloy were investigated. The mass loss rate of the superalloy becomes severe as the MST temperature rises. The chromium, tantalum, and hafnium are the primary evaporation elements during MST. As the MST temperature increases from 1500 to 1600 °C, the secondary dendrite arm spacing is reduced by 13.3%, and the average size of γ′ particles are reduced by 11.5% and 18.2% in the dendrite core and inter-dendritic area, respectively. The content of oxygen and nitrogen gradually reduces with the increase in the MST temperature. However, the sulfur content is not significantly affected by the MST temperature. The essential cause of γ′ phases transition is supposed to be the MST-induced changes in solute distribution and the decomposition of atomic clusters. In addition, the nitrides and Ti (N, C)-type carbides are continuously dispersed as the MST temperature increases, which promotes the removal of nitrogen impurities. Full article
(This article belongs to the Special Issue Research on Ni-Based Superalloys)
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16 pages, 8715 KiB  
Article
Investigation of TaC and TiC for Particle Strengthening of Co-Re-Based Alloys
by Eugen Seif, Joachim Rösler, Jonas Werner, Thomas E. Weirich and Joachim Mayer
Materials 2023, 16(23), 7297; https://doi.org/10.3390/ma16237297 - 23 Nov 2023
Cited by 3 | Viewed by 1267
Abstract
Cobalt-Rhenium (Co-Re)-based alloys are currently investigated as potential high-temperature materials with melting temperatures beyond those of nickel-based superalloys. Their attraction stems from the binary Co-Re phase diagram, exhibiting complete miscibility between Co and Re, whereby the melting temperature steadily increases with the Re-content. [...] Read more.
Cobalt-Rhenium (Co-Re)-based alloys are currently investigated as potential high-temperature materials with melting temperatures beyond those of nickel-based superalloys. Their attraction stems from the binary Co-Re phase diagram, exhibiting complete miscibility between Co and Re, whereby the melting temperature steadily increases with the Re-content. Thus, depending on the Re-content, one can tune the melting temperature between that of pure Co (1495 °C) and that of pure Re (3186 °C). Current investigations focus on Re-contents of about 15 at.%, which makes melting with standard equipment still feasible. In addition to solid solution strengthening due to the mixture of Co- and Re-atoms, particle strengthening by tantalum carbide (TaC) and titanium carbide (TiC) precipitates turned out to be promising in recent studies. Yet, it is currently unclear which of the two particle types is the best choice for high temperature applications nor has the strengthening mechanism associated with the monocarbide (MC)-precipitates been elucidated. To address these issues, we perform compression tests at ambient and elevated temperatures on the particle-free base material containing 15 at.% of rhenium (Re), 5 at.% of chromium (Cr) and cobalt (Co) as balance (Co-15Re-5Cr), as well as on TaC- and TiC-containing variants. Additionally, transmission electron microscopy is used to analyze the shape of the precipitates and their orientation relationship to the matrix. Based on these investigations, we show that TiC and TaC are equally suited for precipitation strengthening of Co-Re-based alloys and identify climb over the elongated particles as a rate controlling particle strengthening mechanism at elevated temperatures. Furthermore, we show that the Re-atoms are remarkably strong obstacles to dislocation motion, which are overcome by thermal activation at elevated temperatures. Full article
(This article belongs to the Section Metals and Alloys)
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20 pages, 19407 KiB  
Article
Fe/TaC Coatings Produced on 145Cr6 Steel by Laser Alloying—Manufacturing Parameters and Material Characterization
by Dariusz Bartkowski and Aneta Bartkowska
Coatings 2023, 13(8), 1432; https://doi.org/10.3390/coatings13081432 - 15 Aug 2023
Viewed by 2581
Abstract
This paper focuses on Fe/TaC composite coatings produced on 145Cr6 steel by laser alloying a TaC precoat in paste form. Fe/TaC coatings were produced in two consecutive steps. The first stage was the application of a precoat in paste form made from tantalum [...] Read more.
This paper focuses on Fe/TaC composite coatings produced on 145Cr6 steel by laser alloying a TaC precoat in paste form. Fe/TaC coatings were produced in two consecutive steps. The first stage was the application of a precoat in paste form made from tantalum carbide and water glass on a steel substrate. Three TaC precoat thicknesses were produced: 30 µm, 60 µm and 90 µm. In the second step, the TaC precoat was remelted on a steel substrate using a 3 kW rated diode laser beam. A constant laser beam scanning speed of 3 m/min and three laser beam powers were used: 500 W, 800 W and 1100 W. In the study, microstructure, microhardness, chemical and phase composition and wear resistance were tested. The aim of the research was to check the possibility of producing composite coatings in which the reinforcing phase will be TaC, and the role of the matrix will be played by the material from the substrate. It was found that it is possible to produce the continuous composite coatings by remelting the TaC precoat with steel substrate. As microhardness increased, so did wear resistance. The coating microhardness obtained ranged from about 750 to 850 HV0.05 depending on the parameters used. Full article
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11 pages, 6940 KiB  
Article
Effect of Carbonization Temperature on Microstructures and Properties of Electrospun Tantalum Carbide/Carbon Fibers
by Hongtao Guo, Xiaofan Ma, Qiqi Lv, Chunmei Zhang and Gaigai Duan
Molecules 2023, 28(8), 3430; https://doi.org/10.3390/molecules28083430 - 13 Apr 2023
Cited by 7 | Viewed by 2754
Abstract
Compared with traditional metal materials, carbon-based materials have the advantages of low density, high conductivity, good chemical stability, etc., and can be used as reliable alternative materials in various fields. Among them, the carbon fiber conductive network constructed by electrospinning technology has the [...] Read more.
Compared with traditional metal materials, carbon-based materials have the advantages of low density, high conductivity, good chemical stability, etc., and can be used as reliable alternative materials in various fields. Among them, the carbon fiber conductive network constructed by electrospinning technology has the advantages of high porosity, high specific surface area and rich heterogeneous interface. In order to further improve the conductivity and mechanical properties of pure carbon fiber films, tantalum carbide (TaC) nanoparticles were selected as conductive fillers. The crystallization degree, electrical and mechanical properties of electrospun TaC/C nanofibers at different temperatures were investigated. As the carbonization temperature increases, the crystallization degree and electrical conductivity of the sample also increases, while the growth trend of electrical conductivity is markedly slowed. The best mechanical properties of 12.39 MPa was achieved when the carbonization temperature was 1200 °C. Finally, through comprehensive analysis and comparison, it can be concluded that a carbonization temperature of 1200 °C is the optimum. Full article
(This article belongs to the Special Issue Carbon-Based Materials for Sustainable Chemistry)
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12 pages, 2558 KiB  
Article
Interface Calculation of In Situ Micro-Nano TaC/NbC Ceramic Particle Composites
by Jilin Li, Yunhua Xu and Wanying Li
Materials 2023, 16(5), 1887; https://doi.org/10.3390/ma16051887 - 24 Feb 2023
Cited by 3 | Viewed by 1856
Abstract
Traditional experiments are difficult to accurately and quantitatively measure the interfacial properties of composites, such as interfacial bonding strength, interfacial microelectronic structure, and other information. It is particularly necessary to carry out theoretical research for guiding the interface regulation of Fe/MCs composites. In [...] Read more.
Traditional experiments are difficult to accurately and quantitatively measure the interfacial properties of composites, such as interfacial bonding strength, interfacial microelectronic structure, and other information. It is particularly necessary to carry out theoretical research for guiding the interface regulation of Fe/MCs composites. In this research, the first-principles calculation method is used to systematically study the interface bonding work; however, in order to simplify the first-principle calculation of the model, dislocation is not considered in this paper, including interface bonding characteristics and electronic properties of α-Fe- and NaCl-type transition metal carbides (Niobium Carbide (NbC) and Tantalum Carbide (TaC)). The interface energy is related to the bond energy between the interface Fe atoms, C atoms and metal M atoms, and the interface energy Fe/TaC < Fe/NbC. The bonding strength of the composite interface system is accurately measured, and the interface strengthening mechanism is analyzed from the perspectives of atomic bonding and electronic structure, which provides a scientific guiding ideology for regulating the interface structure of composite materials. Full article
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