Search Results (352)

The aim of this study was to analyse in detail the effect of varying the parameters of the Johnson–Cook (JC) material model on the results of a numerical simulation of the orthogonal turning process of the Ti6Al4V titanium alloy. The first step involved an experimental study, including the recording of cutting force components and temperature, as well as the measurement of chip geometry, which was used to validate the FEM simulation. This was followed by a sensitivity analysis of the JC model with respect to five parameters, namely A, B, C, m, and n, each modified independently by ±20%. The effects of these changes on cutting forces, cutting zone temperature, stresses, and chip geometry were evaluated. The results showed that parameters A, B, and m had the greatest influence on the physical quantities analysed, while C and n are of secondary importance. The analysis highlighted the need for precise calibration of the JC model parameters, especially when modelling machining processes involving difficult-to-machine materials. The results provided practical guidance for optimising the selection of constitutive parameters in machining simulations. Full article

Lead-free (Bi_1/2Na_1/2)(Ti_1−x(Mg_1/3Nb_2/3)_x)O₃ ceramics were synthesized using the solid-phase method, and the effects of varying (Mg_1/3Nb_2/3)⁴⁺ content, substituting for Ti⁴⁺ ions at the B-site of the BNT perovskite lattice, on piezoelectric performance were systematically investigated. The influence of sintering temperature on both piezoelectric and ferroelectric properties was also explored, revealing that sintering temperature significantly affects both the microstructure and the electrical properties of the ceramics. The results indicate that the incorporation of (Mg_1/3Nb_2/3)⁴⁺ significantly enhances the piezoelectric and ferroelectric properties of BNT ceramics. Specifically, a maximum piezoelectric constant of 91 pC/N was achieved at a sintering temperature of 1160 °C and a doping concentration of x = 0.01. By comparing the ferroelectric properties across different doping levels and sintering temperatures, this study provides valuable insights for further design and process optimization of BNT-based piezoelectric materials. Full article

The laser cladding (LC) of titanium matrix composite coatings (TMCCs) on titanium components not only effectively enhances the wear resistance, fatigue resistance, corrosion resistance, and biocompatibility of titanium and its alloys, but also circumvents the incompatibility and low bonding strength issues associated with other metallic composite coatings. While the incorporation of ceramic particles is a critical strategy for improving the coating performance, the limited interfacial bonding strength between ceramic particles and the matrix has historically constrained its advancement. To further elevate its performance and meet the demands of components operating in harsh environments, researchers worldwide have employed LC to synthesize in situ hard ceramic reinforcements such as TiC, TiB, TiN, and others within TMCCs on titanium substrates. This approach successfully addresses the aforementioned challenges, achieving coatings that combine a high interfacial bonding strength with superior mechanical properties. This paper provides a comprehensive review of the processing techniques, phase composition, microstructure, and mechanical properties of in situ-synthesized ceramic-reinforced TMCCs via LC on titanium components, with a focused summary of their strengthening mechanisms. Furthermore, it critically discusses the challenges and future prospects for advancing this technology. Full article

In this study, density functional theory (DFT) was used to analyze the processes that govern the interactions among triethylaluminum (TEAL), the Ziegler–Natta (ZN) catalyst, and the inhibitory compounds dimethylamine (DMA) and diethylamine (DEA) during olefin polymerization. The structural and charge characteristics of these inhibitors were examined through steric maps and DFT calculations. Combined DFT calculations (D3-B3LYP/6-311++G(d,p)) and IR spectroscopic analysis show that the most efficient way to deactivate the ZN catalyst is via the initial formation of the TEAL·DMA complex. This step has a kinetic barrier of only 27 kcal mol⁻¹ and a negative ΔG, in stark contrast to the >120 kcal mol⁻¹ required to form TEAL·DEA. Once generated, TEAL·DMA adsorbs onto the TiCl₄/MgCl₂ cluster with adsorption energies of −22.9 kcal mol⁻¹ in the gas phase and −25.4 kcal mol⁻¹ in n-hexane (SMD model), values 5–10 kcal mol⁻¹ more favorable than those for TEAL·DEA. This explains why, although dimethylamine is present at only 140 ppm, its impact on productivity (−19.6%) is practically identical to that produced by 170 ppm of diethylamine (−20%). The persistence of the ν(Al–N) band at ~615 cm⁻¹, along with a >30% decrease in the Al–C/Ti–C bands between 500 and 900 cm⁻¹, the downward shift of the N–H stretch from ~3300 to 3200 cm⁻¹, and the +15 cm⁻¹ increase in ν(C–N) confirm Al←N coordination and blockage of alkyl transfer, establishing the TEAL·DMA → ZN pathway as the dominant catalytic poisoning mechanism. Full article

Phased-array ultrasonic transducers using sol–gel composites face challenges in terms of polarization uniformity when using conventional corona poling. Pb(Zr, Ti)O₃ (PZT)/PZT composites with a thickness of 25 µm were fabricated on 3 mm thick titanium substrates, and the samples were poled by AC poling, DC poling, and corona discharge poling at RT. It was found that the polarization direction could be controlled by the voltage off-phase angle. When poling was performed with a voltage off-phase angle of 90°, applied voltage of 200 V (rms), 10 cycles, and frequency of 1 Hz, average values and standards of measured piezoelectric constant d₃₃ of −35.1 ± 0.8 pC/N and ultrasonic sensitivity of 11.4 ± 0.1 dB were obtained. Furthermore, the AC-poled samples demonstrated smaller variations in d₃₃ and ultrasonic sensitivity compared with the corona-poled samples, and higher values of d₃₃ and ultrasonic sensitivity compared with the DC-poled samples, indicating the potential of AC poling for PZT/PZT sol–gel composites with large areas. Full article

Aluminum, boron, and titanium microalloyed into high-strength low-alloy boron steel exhibit a complex interplay, competing for nitrogen, with titanium demonstrating the highest affinity, followed by boron and aluminum. This competition affects the formation and distribution of nitrides, impacting the microstructure and mechanical properties of the steel. Titanium protects boron from forming BN and facilitates the nucleation of acicular ferrite, enhancing toughness. The segregation of boron to grain boundaries, rather than its precipitation as boron nitride, promotes the formation of martensite and thus the through-hardenability. Aluminum nitride is critical in controlling grain size through a pronounced pinning effect. In this study, we employ energy- and wavelength-dispersive X-ray spectroscopy and computer-aided particle analysis to analyze the phase content of 12 high-purity vacuum induction-melted samples. The primary objective of this study is to correctly describe the microstructural evolution in the Fe-Al-B-Ti-C-N system using the Calphad approach, with special emphasis on correctly predicting the dissolution temperatures of nitrides. A multicomponent database is constructed through the incorporation of available binary and ternary descriptions, employing the Calphad approach. The experimental findings regarding the solvus temperature of the involved nitrides are employed to validate the accuracy of the thermodynamic database. The findings offer a comprehensive understanding of the relative phase stabilities and the associated interplay among the involved elements Al, B, and Ti in the Fe-rich corner of the system. The type and size distribution of the stable nitrides in microalloyed steel have been demonstrated to exert a substantial influence on the properties of the material, thereby rendering accurate predictions of phase stabilities of considerable relevance. Full article

In this study, we investigated the frictional properties of TiB₂ films produced by high-power impulse magnetron sputtering and compared them with those of TiN- and CrN-sputtered coatings also made using high-power pulsed discharges. The films were characterised by scanning electron microscopy, Electron Probe Micro-Analysis, nanoindentation and friction tests. Sliding friction analyses were performed against aluminium surfaces at different temperatures, ranging from room temperature to 300 °C. The TiB₂ coatings exhibited hardness values of about 39 GPa, regardless of the bias potential used between −50 V and −100 V, a low modulus of around 300 GPa and a dense compact columnar microstructure with grain sizes between 51 and 68 nm in diameter. The friction behaviour on aluminium produced the transfer of this element to the films, at rates that depended on the test temperature. The TiN and CrN coatings exhibited low–medium adhesion to aluminium at room temperature and severe transfer during the friction tests at 150 °C. In the case of the TiB₂ films, the adhesion of aluminium during friction tests was low for temperatures up to 175 °C. In fact, a clear transition of the mild-to-severe adhesion of aluminium on TiB₂ was observed in the temperature range of 175 °C to 200 °C for the testing conditions evaluated in this study, which was concomitant with the evolution observed for the friction coefficients. Full article

This work shows a sustainable methodology for the synthesis of biogenic materials designed for the removal and photodegradation of rhodamine B (RhB), a highly dangerous environmental pollutant that induces reproductive toxicity. The classical synthesis of MCM-41-ordered mesoporous materials was modified using biocompatible rice husk as the silica template. Iron was incorporated and the so-prepared biogenic photocatalysts were characterized by X-ray diffraction, N₂ adsorption–desorption isotherms, transmission electron microscopy, diffuse reflectance UV-Vis, surface pH, cyclic voltammetry, and Fourier transform infrared spectral analysis of pyridine adsorption. The photocatalytic performance of the materials was evaluated following the removal by adsorption and the photon-driven degradation of RhB. The adsorption capacity and photocatalytic activity of the biogenic materials were correlated with their properties, including iron content, texture, surface content, and electrochemical properties. The best biogenic material boosted the degradation rates of RhB under UV irradiation up to 4.7 and 2.2 times greater than the direct photolysis and the benchmark semiconductor TiO₂-P25. It can be concluded that the use of rice husks for the synthesis of biogenic Fe-modified mesoporous materials is a promising strategy for wastewater treatment applications, particularly in the removal of highly toxic organic dyes. Full article

This paper presents the synthesis and characterization of Ni-TiN@CN nanocomposites fabricated via arc discharge, followed by dopamine polymerization and pyrolysis. The cubic morphology of the Ni-TiN cores and uniform CN encapsulation were confirmed by structural analyses. Electromagnetic evaluations revealed that the CN shell thickness critically influenced the dielectric dispersion, polarization relaxation and conductive loss. The optimal sample (Ni-TiN@CN-3) achieved a minimum reflection loss of −42.05 dB at 4.06 GHz. The incorporation of magnetic Ni particles introduced a magnetic loss mechanism, while the multiple intrinsic defects within the heterogeneous structure synergistically generated defect dipole polarization and conductive loss. The strategic addition of Ni facilitated the construction of heterogeneous interfaces, which achieved enhanced interface polarization effects. The effective absorption bandwidth (≤−10 dB) reached 14.9 GHz, while the effective absorption bandwidth (≤−20 dB) achieved 6.5 GHz. The optimized CN layer facilitated a synergistic interplay between the dielectric loss and magnetic loss, which ensured balanced impedance matching and attenuation, as well as enhanced electromagnetic wave dissipation. This integrated optimization ultimately endowed the material with exceptional microwave absorption performance through an effective electromagnetic energy conversion. This work highlights Ni-TiN@CN nanocomposites as promising candidates for high-performance microwave absorbers in extreme environments. Full article

Background/Objectives: This in vitro study investigated the retention of three different geometrical designs of short titanium base (Ti-base) abutments used in implant-supported zirconia crowns. The advent of digital technology has facilitated the integration of Ti-base abutments into implant dentistry by improving time efficiency, precision, and patient comfort. Methods: Three types of short Ti-base abutments were evaluated: Geo SRN multibase^® (Group A), Herilink^® (Group B), and TS Link^® (Group C), each with a height of 4 mm and gingival height of 1 mm (n = 20 per group). Zirconia crowns (LUXEN^® Smile S2, DentalMax, Republic of Korea) were modified for the testing setup and fabricated using CAD/CAM technology, then bonded to the abutments with RelyX^® Luting 2 resin-modified glass ionomer cement. Pull-out tests were conducted at a crosshead speed of 1 mm/min to assess retention. Results: One-way ANOVA and post hoc Tukey tests revealed significant differences in retention values among the different abutment shapes (p < 0.05). The mean retention forces were 194.65 N for Group A, 241.33 N for Group C, and 360.20 N for Group B. Conclusions: The geometrical design of Ti-base short abutments significantly affects the retention of CAD/CAM zirconia crowns, with hexagonal shapes (Group B) demonstrating superior retention. Clinically, selecting an abutment design with enhanced mechanical retention may improve the long-term success of implant-supported restorations. Full article

Inconel 617 is a nickel-based superalloy that is a primary candidate for use in next-generation nuclear applications such as the Gen IV Molten Salt Reactor (MSR) and Very-High-Temperature Reactor (VHTR) due to its corrosion and oxidation resistance and high strength in elevated temperatures. However, Inconel 617 machinability is poor due to its hardness and tendency to work harden during manufacturing. While the machinability of its sister grade, Inconel 718, has been widely studied and understood due to its applications in aerospace, there is a lack of knowledge regarding the behaviour of Inconel 617 in machining. To address this gap, this paper investigates the influence of cutting parameters in the turning of Inconel 617 and compares the impact of Minimum Quantity Lubrication (MQL) turning against conventional coolant. This investigation was performed through three distinct studies: Study A compared the performance of commercial coatings, Study B investigated the influence of cutting parameters on the surface finish, and Study C compared the performance of MQL to flood coolant. This work demonstrated that AlTiN coatings performed the best and doubled the tool life of a standard tungsten carbide insert compared to its uncoated form. Additionally, the feed rate had the largest impact on the surface roughness, especially at high feeds, with the best surface quality found at the lowest feed rate of 0.075 mm/rev. The utilization of MQL had mixed results compared to a conventional flood coolant in the machining of Inconel 617. Surface finish was improved as high as 47% under MQL conditions compared to the flood coolant; however, work hardening at the surface was also shown to increase by 10–20%. Understanding this, it is possible that MQL can completely remove the need for a conventional coolant in the machining of Inconel 617 components for the manufacturing of next-generation reactors. Full article

Two-dimensional (2D) hexagonal boron carbon nitride (h-B_xC_yN_z) has garnered a lot of interest in the last two decades because of its remarkable physical and chemical characteristics. Because of the carbon atoms, it has a smaller gap than its cousin, boron nitride, and is hence more appropriate for a wider range of applications. In the frame of density functional theory, we discuss the structural, electronic, and magnetic properties of mono Ti-doped and Co-doped BC₆N (Ti/Co-BC₆N) at different sites of substitutional doping (Ti/Co) in the BC₆N monolayer. The mono substitutional doping at the B (Ti_B/Co_B), N (Ti_N/Co_N), and two different C (C1 (Ti_C1/Co_C1), C2 (Ti_C2/Co_C2)) sites, are investigated. The position of the Ti/Co dopant is an important parameter that changes the electronic state, magnetic moment, and adsorption activity of the pristine BC₆N nanosheet. We find that the adsorption of the gases NO, NO₂, CO₂, NH₃, N₂, and O₂ is significantly improved on the doped sheet at all doped positions compared to the adsorption on the pristine structure. The Ti/Co-BC₆N can adsorb NO and NO₂ better than CO₂ and NH₃. Ti_C1-BC₆N and Ti_B-BC₆N are the best doped sheets for adsorbing NO and NO₂, respectively. The CO₂ and the N₂ molecules are moderately adsorbed at all doped positions as compared to the other adsorbed molecules. Ti-doped sheets can adsorb the CO₂, NH₃, and O₂ better than the corresponding Co-doped sheets. We also study the adsorption of molecular hydrogen on our single-atom Ti/Co-doped systems, as well as on 4-atom Ti and Co clusters embedded in the BC₆N sheets. We show that the cluster-embedded sheets can adsorb up to four H₂ molecules. These novel findings are important for many applications of BC₆N, including spintronics, gas filtration, molecular sensing, and hydrogen storage. Full article

In response to the detrimental impact of excessive fossil fuel usage on the environment and the looming energy crisis, the electrochemical reduction of carbon dioxide (CO₂RR) has emerged as a promising solution. This study investigates the potential of dual-atom catalysts, specifically boron (B) and transition metal (TM) co-modified C₉N₄, for efficient CO₂RR. The 2 × 2 × 1 supercell of C₉N₄, considering modification with 26 TM and B atoms, demonstrated stability, confirmed by binding and formation energy calculations. Molecular dynamics simulations further supported the thermal stability of the studied catalysts. The modified structures exhibited metallic behavior, suggesting potential facilitation of electron transfer during electroreduction. Furthermore, by conducting Gibbs free energy calculations on CO₂ reduction pathways, seven low overpotential catalysts were screened out. Considering the competitive hydrogen evolution reaction (HER), Sc-B and Hf-B demonstrate excellent selectivity towards CO₂, with Faradaic efficiencies (FE) close to 100%, and possess low limiting potentials of −0.30 and −0.53 eV, showcasing their potential to be excellent catalysts. The introduction of pre-adsorbed hydrogen atoms further optimized the advantage of CO₂RR over HER, with the efficiencies of Ti-B@C₉N₄-H and Hf-B@C₉N₄-H methods increasing from 0% and 28% to over 99%, respectively, providing new insights into overcoming the low selectivity of CO₂ reduction. Full article

This study investigates the effects of molybdenum (Mo) and boron (B) on the microstructures and impact properties in the coarse grain heat-affected zone (CGHAZ) of a low-carbon V-Ti-N steel. The results demonstrate that, at a heat input of up to 75 kJ/cm, the addition of Mo alters the microstructure of the CGHAZ, transforming it from a polygonal ferrite (PF) + degraded pearlite (DP) composition to a granular bainite (GB) + a small amount of acicular ferrite (AF). This transformation increases the impact energy from 20 J to 35 J. Furthermore, with the Mo/B composite addition, the CGHAZ microstructure was refined due to the formation of a large number of acicular ferrites, and the mean equivalent diameter (MED_MTA≥15°) decreased from 7.9 μm to 4.2 μm. Consequently, the impact toughness of the CGHAZ increased from 35 J to 111 J. The correlation between the Mo/B elements, microstructure and impact toughness was investigated in detail. The findings of this study have the potential to generate novel ideas for the advancement of steel materials in the context of high heat input welding. Full article

Metal and metalloid powders are widely used in high-energy compositions (HECs) and solid propellants (SPs), increasing their energetic characteristics in the combustion chamber. The particle size distribution, protective coatings of the particles and heat of combustion of the metal powders influence the ignition and combustion parameters of the HECs as well as the characteristics of the propulsion systems. Boron-based metallic fuels achieve high-energy potentials during their combustion. The effect of Al-B, Fe-B and Ti-B (Me-B) mixture ultrafine powders (UFPs) on the ignition and combustion characteristics of a model HEC based on a solid oxidizer and a polymer combustible binder was investigated. The Me-B mass ratios in the mixture UFPs corresponded to the phase composition of the borides AlB₂, FeB and TiB₂. It was found that replacing the aluminum UFP with Al-B, Fe-B and Ti-B UFPs in the HECs changed the exponent (n) in the correlations of the ignition delay time t_ign(q) and burning rate u(p). The maximum burning rate and n over the pressure range of 0.5–5.0 MPa were obtained for the HEC with Al-B UFPs due to the increase in the heat release rate near the sample surface during the joint combustion of the Al and B particles. Full article