Search Results (16)

When combined with ceramics, ternary carbides, nitrides, and borides form a class of materials known as MAX phases. These materials exhibit a multilayer hexagonal structure and are very strong, damage tolerant, and thermally stable. Further, they have a low thermal expansion and exhibit outstanding resistance to corrosion and oxidation. However, despite the numerous MAX phases that have been identified, the search for better MAX phases is ongoing, including the recently discovered Zr₃InC₂ and Hf₃InC₂. The properties of MAX phases are still being tailored in order to lower their ductility. This study investigated Ti₃AlC₂ alloyed with nitrogen, gallium, hafnium, and zirconium with the aim of achieving better mechanical and thermal performances. Density functional theory within Quantum Espresso module was used in the computations. The Perdew–Burke–Ernzerhof generalised gradient approximation functionals were utilised. (ZrHf)₄AlN₃ exhibited an enhanced bulk and Young’s moduli, entropy, specific heat, and melting temperature. The best thermal conductivity was observed in the case of (ZrHf)₃AlC₂. Further, Ti₃AlC₂ exhibited the highest shear modulus, Debye temperature, and electrical conductivity. These samples can thus form part of the group of MAX phases that are used in areas wherein the above properties are crucial. These include structural components in aerospace and automotive engineering applications, turbine blades, and heat exchanges. However, the samples need to be synthesised and their properties require verification. Full article

The ternary transition metal boride Fe₂AlB₂ is a unique ferromagnetic “MAB” phase that demonstrates a sizable magnetocaloric effect near room temperature—a feature that renders this material suitable for magnetic heat pump devices (MHP), a promising alternative to conventional vapor compression technology. Here, we provide a comprehensive review of the material properties of Fe₂AlB₂ (magnetofunctional response, transport properties, and mechanical stability) and discuss alloy synthesis from the perspective of shaping these materials as porous active magnetic regenerators in MHPs. Salient aspects of the coupled magnetic and structural phase transitions are critically assessed to elucidate the fundamental origin of the functional response. The goal is to provide insight into strategies to tune the magnetofunctional response via elemental substitution and microstructure optimization. Finally, outstanding challenges that reduce the commercial viability of Fe₂AlB₂ are discussed, and opportunities for further developments in this field are identified. Full article

In-situ formation of boron thin films on the Mo(110) surface, as well as the formation of the molybdenum boride and its oxide and the trends of carbon monoxide catalytic oxidation on the substrates formed, have been studied in an ultra-high vacuum (UHV) by a set of surface-sensitive characterization techniques: Auger and X-ray photoelectron spectroscopy (AES, XPS), low-energy ion scattering (LEIS), reflection-absorption infrared spectroscopy (RAIRS), temperature-programmed desorption (TPD), electron energy loss spectroscopy (EELS) and work function measurements using the Anderson method. The boron deposited at Mo(110) via electron-beam deposition at a substrate temperature of 300 K grows as a 2D layer, at least in submonolayer coverage. Such a film is bound to the Mo(110) via polarized chemisorption bonds, dramatically changing the charge density at the substrate surface manifested by the Mo(110) surface plasmon damping. Upon annealing of the B-Mo(110) system, the boron diffuses into the Mo(110) bulk following a two-mode regime: (1) quite easy dissolution, starting at a temperature of about 450 K with an activation energy of 0.4 eV; and (2) formation of molybdenum boride at a temperature higher than 700 K with M-B interatomic bonding energy of 3.8 eV. The feature of the formed molybdenum boride is that there is quite notable carbon monoxide oxidation activity on its surface. A further dramatic increase of such an activity is achieved when the molybdenum boride is oxidized. The latter is attributed to more activated states of molecular orbitals of coadsorbed carbon monoxide and oxygen due to their enhanced interaction with both boron and oxygen species for Mo_xB_yO_z ternary compound, compared to only boron for the Mo_x’B_y’ double alloy. Full article

In the present study, we perform a systematic examination of the products formed by mixing and heating of tungsten boride and iridium powders at different ratios in a broad temperature range using qualitative and quantitative X-ray analysis and time-of-flight neutron diffraction (TOF-ND), in combination with scanning electron microscopy/energy-dispersive spectroscopy (SEM/EDS) performed at different accelerating voltages. The well-known and unknown ternary W–Ir–B phases were detected. The Vickers microhardness value for the new ternary W₂Ir₅B₂ boride was measured. Based on these findings, the ternary W₂Ir₅B₂ boride can be considered hard. Full article

The process parameters of laser cladding have a significant influence on the forming quality of the coating. This research investigates the relationship between input process parameters (laser power, scanning speed, pre-placed thickness) and output responses (height, width, dilution rate) of Mo₂FeB₂ coating through sensitivity analysis. The microstructure and properties of selected coatings were analyzed to discuss the corresponding relations. The results showed that the laser power positively affected the coating width and dilution rate, while negatively affecting the coating height. The scanning speed had a negligible effect on the height and dilution rate. The pre-placed thickness had a positive influence on the height and width; it negatively affected the dilution rate. Based on the sensitivity analysis, the thickness of the pre-placed coating determined the most sensitivity to the height. The sensitivity of the width to laser power was the highest among all parameters. The sensitivity of dilution rate to laser power and pre-placed powder thickness showed a noticeable impact. When the scanning speed was 3 mm/s, the forming quality of coating had a significant sensitivity for a higher or lower laser power (1.5, 2.1 kW) and higher or lower powder thickness (0.8, 1.2 mm). The analysis of microstructure and microhardness of Mo₂FeB₂ coating indicates that the Mo₂FeB₂ coating improves substrate properties. The microhardness of the Mo₂FeB₂ coating was 4–6 times that of the substrate, and the highest microhardness could be obtained by 1.5 kW laser power, 3 mm/s scanning speed, and 1.2 mm powder thickness from the sensitivity analysis results. Full article

Liquid metal extraction (LME) for recycling rare-earth elements from magnets is studied, in the present study, to examine its suitability as an environmentally friendly alternative for a circular economy. While Nd (neodymium) extraction efficiency can easily reach almost 100%, based on the high reactivity of Mg (magnesium), Dy (dysprosium) extraction has been limited because of the Dy–Fe intermetallic phase as the main extractive bottleneck. In the present paper, the boro-additive effect is designed thermodynamically and examined in the ternary and quinary systems to improve the selectivity of recovery. Based on the strong chemical affinity between B (boron) and Fe, the effect of excess boron, which is produced by the depletion of B in FeB by Mg, successfully resulted in the formation of Fe₂B instead of Dy–Fe bonding. However, the growth of the Fe₂B layer, which is the reason for the isolated Mg, leads to the production of other byproducts, rare-earth borides (RB₄, R = Nd and Dy), as the side effect. By adjusting the ratio of FeB, the extraction efficiency of Dy over 12 h with FeB addition is improved to 80%, which is almost the same extraction efficiency of the conventional LME process over 24 h. Full article

CoWB based composites were produced by annealing Ni_33.6Co_23.2Zr_0.5Ta₄W_23.7B₁₅ bulk metallic glass above the crystallization temperature. The effect of annealing on the microstructure of the composites was investigated by X-ray diffraction (XRD) and scanning electron microscopy (SEM). Microhardness (Hv) and indentation fracture toughness (K_C) of the composites were also measured. Microstructural examinations revealed that the first precipitated phase as a result of annealing is a nickel solid solution. As the annealing time is increased, CoWB and the nickel solid solution begins to precipitate. If the annealing time is increased further, the CoWB remains stable, while the nickel solid solution transforms into Ni₃Ta. The microhardness of the as-cast alloy was determined to be 1190 HV. As a result of annealing, composites with a microhardness of around 1400 HV were obtained due to the precipitation of CoWB. K_C of the composite with the maximum hardness was determined to be ~3 MPa.m^1/2. The effect of microstructure on the mechanical properties of the composites is discussed. Full article

The article presents theoretical and experimental study of shock waves induced by a nanosecond laser pulse. Generation of surface plasma pressure by ablation of the graphite absorption layer in water medium and shock wave formation were analyzed theoretically and experimentally. The amplitude and temporal variation of the shock wave pressure was determined basing on a proposed hydrodynamic model of nanosecond laser ablation and experimentally verified with use of a polyvinylidene fluoride (PVDF) piezoelectric-film sensor. The determined pressure wave was used for examination of adhesive strength of tungsten–zirconium–boride coatings on steel substrate. The magnetron sputtered (MS) W–Zr–B coatings show good adhesion to the steel substrate. The obtained experimental results prove the correctness of the proposed model as well as the suitability of the procedure for assessment of adhesive strength. Full article

To enhance the properties of tungsten diboride, we have synthesized and characterized solid solutions of this material with chromium, molybdenum, rhenium and zirconium. The obtained materials were subsequently deposited as coatings. Various concentrations of these transition metal elements, ranging from 0.0 to 24.0 at.%, on a metals basis, were made. Spark plasma sintering was used to synthesize these refractory compounds from the pure elements. Elemental and phase purity of both samples (sintered compacts and coatings) were examined using energy dispersive X-ray spectroscopy and X-ray diffraction. Microindentation was utilized to measure the Vickers hardness. X-ray diffraction results indicate that the solubility limit is below 8 at.% for Mo, Re and Zr and below 16 at.% for Cr. Above this limit both diborides (W,TM)B₂ are created. Addition of transition metals caused decrease of density and increase of hardness and electrical conductivity of sintered compacts. Deposited coatings W_1−xTM_xB_y (TM = Cr, Mo, Re, Zr; x = 0.2; y = 1.7–2) are homogenous, smooth and hard. The maximal hardness was measured for W-Cr-B films and under the load of 10 g was 50.4 ± 4.7 GPa. Deposited films possess relatively high fracture toughness and for WB₂ coatings alloyed with zirconium it is K_1c = 2.11 MPa m^1/2. Full article

The Molybdenum rich ternary alloys Mo-M-B (M = Zr, Hf) contain, next to the Mo solid solution (bcc Mo with small amounts of Zr or Hf as substitutional atoms), the binary borides Mo₂B, MB and MB₂. Recently, it was found that there is also ternary Mo₂MB₂, but the crystal structure and further properties are currently unknown. Density functional theory (DFT) calculations were used not only to predict the crystal structure of the Mo₂MB₂ phases, but also to estimate the isotropic and anisotropic elastic properties like bulk, shear and Young’s modulus, as well as the Vickers hardness of these new borides. Several known crystal structures that fulfill the criterion of the chemical composition were investigated, and the AlMn₂B₂ type structure seems to be the most stable crystal structure for Mo₂HfB₂ and Mo₂ZrB₂ as there are no signs of electronic or dynamic instability. Regarding the elastic properties, it was found that Mo₂HfB₂ shows higher elastic moduli and is less elastically anisotropic than Mo₂ZrB₂. Full article

First-principles calculations based on density functional theory (DFT) have been performed to explore the effects of Si, Cr, W, and Nb elements on the stability, mechanical properties, and electronic structures of MoAlB ternary boride. The five crystals, with the formulas of Mo₄Al₄B₄, Mo₄Al₃SiB₄, Mo₃CrAl₄B₄, Mo₃WAl₄B₄, and Mo₃NbAl₄B₄, have been respectively established. All the calculated crystals are thermodynamically stable, according to the negative cohesive energy and formation enthalpy. By the calculation of elastic constants, the mechanical moduli and ductility evolutions of MoAlB with elemental doping can be further estimated, with the aid of B/G and Poisson’s ratios. Si and W doping cannot only enhance the Young’s modulus of MoAlB, but also improve the ductility to some degree. Simultaneously, the elastic moduli of MoAlB are supposed to become more isotropic after Si and W addition. However, Cr and Nb doping plays a negative role in ameliorating the mechanical properties. Through the analysis of electronic structures and chemical bonding, the evolutions of chemical bondings can be disclosed with the addition of dopant. The enhancement of B-B, Al/Si-B, and Al/Si-Mo bondings takes place after Si substitution, and W addition apparently intensifies the bonding with B and Al. In this case, the strengthening of chemical bonding after Si and W doping exactly accounts for the improvement of mechanical properties of MoAlB. Additionally, Si doping can also improve the Debye temperature and melting point of the MoAlB crystal. Overall, Si element is predicted to be the optimized dopant to ameliorate the mechanical properties of MoAlB. Full article

New coatings resistant to corrosion in high-temperature molten zinc aluminum were prepared by supersonic flame spraying of various composite powders. These composite powders were prepared by mixing, granulation, and heat treatment of various proportions of Mo–B₄C powder and WC and Co powder. X-ray diffraction (XRD), transmission electron microscopy (TEM), scanning electron microscopy (SEM), high-angle annular dark-field scanning transmission electron microscopy (HAADF–STEM), energy dispersive X-ray spectroscopy (EDS), and mechanical analysis were used to study the effects of Mo–B₄C on the microstructure, phase, porosity, bonding strength, and elastic modulus of the composite powder and coating. Results show that the addition of an appropriate quantity of Mo–B₄C reacts with Co to form ternary borides CoMo₂B₂ and CoMoB. Ternary boride forms a perfect continuous interface, improving the mechanical properties and corrosion resistance property of the coating. When the amount of Mo–B₄C added was 35.2%, the mechanical properties of the prepared coating reached optimal values: minimum porosity of 0.31 ± 0.15%, coating bonding strength of 77.81 ± 1.77 MPa, nanoindentation hardness of 20.12 ± 1.85 GPa, Young’s modulus of 281.52 ± 30.22 GPa, and fracture toughness of 6.38 ± 0.45 MPa·m^1/2. Full article

Hot-dip galvanizing has been used for anti-corrosion of various steel products; however, the corrosion of molten zinc in the galvanizing industry is the key problem to be solved. Three kinds of Mo–B–Co–Cr, Mo–B–Ni–Cr, and Ti–B–Co–Cr mixture powders were deposited on the surface of a 316L stainless-steel substrate by a HVOF spraying method to prepare MoB/CoCr, MoB/NiCr, and TiB/CoCr coatings. The microstructure, mechanical properties, abrasive wear, and corrosion behavior in molten zinc of the in situ synthesized boride-based coatings were investigated. The experimental results showed that MoB/NiCr coating with a denser microstructure had the lowest porosity (0.811%). The in situ synthesized boride-phase compositions of MoB/CoCr, MoB/NiCr, and TiB/CoCr coatings were CoMoB and CoMo₂B₂, NiMo₂B₂, and TiB₂, respectively. The MoB/NiCr coating had the highest boride content among the coatings. The presence of binary (TiB₂) or ternary boride phases (CoMoB, CoMo₂B₂, and NiMo₂B₂) with their excellent mechanical properties could obviously increase the microhardness values in the coatings. The in situ synthesized borides in the coatings also could improve the wear resistance properties; MoB/NiCr coating with shallower grooves and smaller craters/pits had the smoothest worn surface and the lowest weight loss (6.8 ± 0.84 mg) among the coatings. After immersion test in molten zinc for 360 h, no presence of zinc or intermetallic compounds in the three kinds of the coatings (MoB/CoCr, MoB/NiCr, and TiB/CoCr), and the element compositions of the three kinds of coatings after the immersion test were the same as the as-sprayed coatings. Compared to the other coatings, MoB/NiCr coatings had the higher durability in molten zinc. Full article

For the purpose of exploring new hard materials and doping methods, the structural, mechanical and electronic properties of WCoB and W₂CoB₂ ternary boride were investigated with 0, 8.33, 16.67, 25 and 33.33 at.% V doping content and W₂CoB₂ with 0, 5, 10, 15 and 20 at.% V doping content by first-principle calculations. The cohesive energy, impurity formation energy and formation energy indicate the structural stability of V doped WCoB and W₂CoB₂. The elastic constants and mechanical properties imply that V doping leads to the decrement of shear modulus and the increment of ductility. Two different kinds of hardness models verify that V doping contributes to the decrement of hardness, which is closely related to shear modulus. The electronic structure is analyzed by DOS (density of states), PDOS (partial density of states) and charge density difference, which indicate the formation of weaker B–V covalent bonds, W–V and W–W metallic bonds lead to the decrement of mechanical properties. Compared with previous studies of Cr, Mn doped WCoB and W₂CoB₂, V doping leads to worse mechanical properties and hardness, indicating V may not be a suitable choice of doping transition elements. Full article

We demonstrate synthesis of the ternary intermetallic MgNi₃B₂ using autogenous pressure from the reaction of NaBH₄ with Mg and Ni metal powder. The decomposition of NaBH₄ to H₂ and B₂H₆ commences at low temperatures in the presence of Mg and/or Ni and promotes formation of Ni-borides and MgNi₃B₂ with the increase in temperature. MgNi₃B₂ aggregates with Ni-boride cores are formed when the reaction temperature is >670 °C and autogenous pressure is >1.7 MPa. Morphologies and microstructures suggest that solid–gas and liquid–gas reactions are dominant mechanisms and that Ni-borides form at a lower temperature than MgNi₃B₂. Magnetic measurements of the core-shell MgNi₃B₂ aggregates are consistent with ferromagnetic behaviour in contrast to stoichiometric MgNi₃B₂ which is diamagnetic at room temperature. Full article