Search Results (74)

Enhanced hard coatings with exceptional mechanical and thermal qualities have prompted substantial study into multicomponent nitride systems. TiAl(Si)N coatings have emerged as viable possibilities owing to their remarkable hardness, thermal stability, and oxidation resistance. This work involved the fabrication of thickness-varied TiAl(Si)N gradient coatings using reactive magnetron sputtering, employing a controlled modulation of aluminum and silicon content across the film thickness. Three samples, with thicknesses of ~400 nm, ~600 nm, and ~800 nm, were deposited under uniform Ar/N₂ gas flow ratios, and their microstructural, mechanical, and tribological characteristics were rigorously examined. SEM investigation demonstrated a significant change across thicknesses. XRD results validated the emergence of a predominant cubic TiAl(Si)N phase alongside a secondary hexagonal AlN phase, signifying partial phase segregation. The nanoindentation results indicated that Sample 2 exhibited the maximum hardness (~38 GPa) and Young’s modulus (~550 GPa) due to an optimized equilibrium between solid solution strengthening and nanocomposite production. Tribological testing revealed that Sample 1 displayed the lowest and most consistent friction coefficient, corresponding to its superior H/E and H3/E2 ratios, which signify improved elasticity and resistance to plastic deformation. The findings emphasize that the implementation of a compositional gradient, especially in the distribution of Si and Al, markedly affects the microstructure and performance of TiAl(Si)N coatings. Gradient structures enhance the microstructure, optimize hardness, and increase the friction coefficient. Ongoing refinement of gradient profiles and deposition parameters may further improve the characteristics of TiAl(Si)N coatings, facilitating their wider industrial use. Full article

The study of the excited-state properties of diamond is crucial for understanding its electronic structure and surface physicochemical properties, providing theoretical support for its applications in optoelectronic devices, quantum technologies, and catalysis. This research employs Density Functional Theory (DFT) with the fixed electron occupation method to simulate the electron excitation. Using the Generalized Gradient Approximation (GGA) within DFT, we systematically investigated the excited-state characteristics of diamond by simulating the transfer of a fraction of electrons from the Highest Occupied Crystal Orbital (HOCO) to the Lowest Unoccupied Crystal Orbital (LUCO). Theoretical calculations indicate that with increasing electron excitation levels, the diamond crystal structure transitions from cubic to tetragonal, accompanied by a gradual decrease in the bandgap. Mechanical property analysis reveals that both Young’s modulus and shear modulus decrease with increasing excitation rate, while the bulk modulus remains nearly constant. These findings indicate a significant impact of electronic excitation on the mechanical stability of diamond. Phonon dispersion curves exhibit reduced degeneracy in high-frequency optical branches and a marked decrease in crystal symmetry upon excitation. This study not only advances the understanding of diamond’s excited-state properties but also offers valuable theoretical insights into its structural evolution and performance tuning under such extreme conditions. Full article

Stress shielding remains a major concern in cementless total hip arthroplasty (THA) due to the stiffness mismatch between femoral stems and surrounding bone. This study investigated the biomechanical and clinical performance of a novel Ti-33.6Nb-4Sn (Ti-Nb-Sn) alloy stem with a graded Young’s modulus achieved through localized heat treatment. A finite element model (FEM) of the Ti-Nb-Sn stem, incorporating experimentally validated Young’s modulus gradients, was constructed and implanted into a patient-specific femoral model. Stress distribution and micromotion were assessed under physiological loading conditions. Clinical validation was performed by evaluating radiographic outcomes at 1 and 3 years postoperatively in 40 patients who underwent THA using the Ti-Nb-Sn stem. FEM analysis showed low micromotion at the proximal press-fit region (4.89 μm rotational and 11.74 μm longitudinal), well below the threshold for osseointegration and loosening. Stress distribution was concentrated in the proximal region, effectively reducing stress shielding distally. Clinical results demonstrated minimal stress shielding, with no cases exceeding Grade 3 according to Engh’s classification. The Ti-Nb-Sn stem with a gradient Young’s modulus provided biomechanical behavior closely resembling in vivo conditions and showed promising clinical results in minimizing stress shielding. These findings support the clinical potential of modulus-graded Ti-Nb-Sn stems for improving implant stability in THA. Full article

Accompanied by the rapid progress of the digital era and the continuous innovation of material science and technology, wearable electronic devices are widely used in various industries due to their excellent portability and flexibility. However, the problem of heat accumulation not only restricts the use of electronic devices but also poses potential safety risks for users. Therefore, there is an urgent need to study and develop thermal management materials applied to wearable devices to meet the demands of highly integrated wearable electronic systems. In this study, we report a method of combining functional boron nitride (FBN) and polyurethane (PU) through electrostatic spinning technology and gradient structure design, which ultimately results in multilayer structured FBN/PU composite fiber membranes with excellent thermal conductivity (2.96 W·m⁻¹·K⁻¹) and mechanical properties (The tensile strength, Young’s modulus, and toughness were up to 12.03 MPa, 86.37 MPa and 15.02 MJ·m⁻³, respectively). The gradient structure design significantly improves the thermal conductivity and mechanical properties of the composite fiber membrane. The multilayer structured composite fiber membrane has high thermal conductivity and high mechanical properties and has potential application and development prospects in the thermal management of wearable electronic devices. Full article

This study investigates the mechanical and optical characteristics of silicon nitride thin films deposited with PECVD at 80 °C for tunable silicon-rich SiN_x-SiO_y-based MEMS optical cavities. Varying the deposition parameters using SiH₄ and N₂ as precursor gases for silicon-rich SiN_x thin films allows us to tune the refractive index to a value as high as 2.40 ± 0.013 at an extinction coefficient of only 0.008, an extremely low surface roughness of only 0.26 nm, and a compressive stress of about 150 MPa. We deposited 6.5-layer pairs of silicon-rich SiN_x/SiO_y-distributed Bragg reflector (DBR) micro-electro-mechanical system (MEMS) mirror that covers the whole 1300 and 1550 nm range. Cavity architectures of 6.5 top and 6 bottom layer-pairs were fabricated in the clean room providing a variety of cavity lengths between 0.615 µm and 2.85 µm. These lengths were then simulated in order to estimate the Young’s Modulus of silicon-rich SiN_x, obtaining values from 56 to 92 GPa. One of the designs was characterised electro-thermally providing a tuning range of at least 86.7 nm centred at 1585 nm. The tunable filters are well suitable for implementation as tuning element in lasers for optical coherence tomography. Full article

Using gradient-corrected density functional theory we investigate the mechanical properties of ultrathin boron (B) and phosphorus (P) doped silicon nanowires (SiNWs) along the [001] and [111] orientations within the PBE approximation. Both pristine and doped SiNWs under study have diameters ranging from 5 to 8 Å. Our results show that doping significantly enhances the bulk modulus ($B_0$), shear modulus ($G_V$), Young’s modulus (Y), and other mechanical parameters. The significant anisotropy observed in the mechanical properties of Si[111] NWs, with varying moduli along different axes, further illustrates the complex interplay between mechanical behavior and electronic structure at the nanoscale. The mechanical flexibility of SiNWs, combined with their tunable electronic properties due to quantum confinement, makes them promising candidates for advanced nanoelectronic devices, nanoelectromechanical systems (NEMS), and advanced technologies. Full article

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

Standard safety assessments of civil engineering systems are conducted using safety factors. An alternative method to this approach is the assessment of the engineering system using reliability analysis of the structure. In reliability analysis of the structure, both the uncertainty of the load and the properties of the materials or geometry are explicitly taken into account. The uncertainties are described in a probabilistic manner. After defining the ultimate and serviceability limit state functions, we can calculate the failure probability for each state. When assessing structural reliability, it is useful to calculate measures that provide information about the influence of random parameters on the failure probability. Classical measures are vectors, whose coordinates are the first partial derivatives of reliability indices evaluated in the design point. These values are obtained as a by-product of the First-Order Reliability Method. Furthermore, we use Sobol indices to describe the sensitivity of the failure probability to input random variables. Computations of the Sobol indices are carried out using the classic Monte Carlo method. The aim of this article is not to define new sensitivity measures, but to show the advantages of using structural reliability and sensitivity analysis in everyday design practice. Using a simple cantilever beam as an example, we will present calculations of probability failure and local and global sensitivity measures. The calculations will be performed using COMREL modules of the STRUREL computing environment. Based on the results obtained from the sensitivity analysis, we can conclude that in the case of the serviceability limit state, the most significant influence on the results is exerted by variables related to the geometry of the beam under consideration. The influence of changes in Young’s modulus and load on the probability of failure is minimal. In further calculations, these quantities can be treated as deterministic. In the case of the ultimate limit state, the influence of changes in the yield strength is significant. The influence of changes in the load and length of the beam is significantly smaller. The authors present two alternative ways of designing with a probabilistic approach, using the FORM (SORM) and Monte Carlo simulation. The approximation FORM cannot be used in every case in connection with gradient determination problems. In such cases, it is worth using the Monte Carlo simulation method. The results of both methods are comparable. Full article

Perovskites are currently becoming common in the field of optoelectronics, owing to their promising properties such as electrical, optical, thermoelectric, and electronic. Although mechanical and thermal properties also play a crucial part in the functioning of the optoelectronic devices, they have scarcely been explored. The present work performed an ab initio study of the mechanical and thermal properties of the cubic EuAlO₃ and GdAlO₃ perovskites for the first time using density functional theory. Quantum Espresso and Themo_pw codes were utilized by employing the generalized gradient approximation. Although the results showed that both materials have good mechanical and thermal properties that are ideal for the above–mentioned applications, EuAlO₃ possessed better structural and thermal stability, bulk modulus, Poisson ratio, thermal expansion coefficient, and thermal stress; while GdAlO₃ possessed better Young’s modulus and shear modulus. Moreover, the mechanical properties of the two materials turned out to be much better than those of the common materials for optoelectronic applications, while their thermal properties were comparable to that of sapphire glass. Since this study was computational, an experimental verification of the computed properties of the two materials needs to be carried out before they can be commercialized. Full article

The literature analysis did not indicate any studies on fluorination tests of carbon nanocomposite coatings doped with transition metals in a form of nanocrystalline metal carbide in amorphous carbon matrix (nc-MeC/a-C). As a model coating to investigate the effect of fluorination in a tetrafluoromethane (CF₄) atmosphere, a nanocomposite carbon coating doped with chromium-forming nanocrystals of chromium carbides in a-C matrix (nc-CrC/a-C) produced by magnetron sputtering from graphite targets and using a Pulse-DC type medium frequency power supply was chosen. After the deposition of the gradient chromium carbonitride (CrCN) adhesive sublayer, the fluorination of the main coating was conducted in a reactive mode in an (Ar + CF₄) atmosphere at various CF₄ content. It was observed that the presence of CF₄ in the atmosphere resulted in a reduced amount of chromium carbides formed in favor of chromium fluorides. Thus far, this is an observation that seems unnoticed by the carbon coatings researchers. Fluorine was assumed to bond much more readily to carbon than to chromium, due to the stability of tetrafluoromethane (CF₄). The opposite seems to be true. The mechanical properties (nano-hardness and Young’s modulus) and tribological properties in the ‘pin-on-disc’ friction pair are presented, along with the analysis of bonds occurring between chromium, carbon, and fluorine by means of X-ray photoelectron spectroscopy (XPS). Full article

This study examines stress distributions in adhesive joints under various loading and temperature conditions. Finite element analysis (FEA) was employed to compute the peel and shear stresses at the adhesive interface and bondline mid-section. Dependency analysis shows that mid-section peel stress significantly impacts the experimental shear strength of SLJs more than shear stress. This insight highlights the need to carefully analyze peel stress and bending moment factors. The analytical solutions proposed by Goland and Reissner were analyzed with modifications by Hart-Smith and Zhao. Hart-Smith’s approach performed more effectively, especially when the adhesive layer thickness (t_a) was 0.5 mm and the overlap length to thickness ratio (c/t_a) was ≥20. FEA revealed stress distributions at the adhesive/adherend interface and bondline mid-section. DP490 adhesive joints exhibited lower stresses than EA9696. Temperature variations significantly affected joint behavior, particularly above the adhesive’s glass transition temperature (T_g). Both EA9696 and DP490 adhesive joints displayed distinct responses to stress and temperature changes. The parabolic and biquadratic solutions for functionally graded adhesive (FGA) joints were compared. The biquadratic solution consistently yielded higher shear and peel stress values, with an increase ranging from 15% to 71% compared to the parabolic solution at various temperatures because of the larger gradient of the Young’s modulus distribution near the overlap ends. The ratio of peak peel stress to peak shear stress suggests that selecting an adhesive with a superior peel strength or primarily reducing the peak peel stress by functionally grading is advisable, particularly if the adhesive is brittle. The comparison of stress distributions emphasizes the importance of selecting adhesives based on stress type, temperature, and solution methods in optimizing adhesive bonding applications. These findings provide valuable insights for thermomechanical applications where thermal stimuli may be used for controlled debonding. Full article

The current seismic prediction methods of the shale brittleness index are all based on the pre-stack seismic inversion of elastic parameters, and the elastic parameters are transformed by Rickman and other simple linear mathematical relationship formulas. In order to address the low accuracy of the seismic prediction results for the brittleness index, this study proposes a method for predicting the brittleness index of shale reservoirs based on an error backpropagation neural network (BP neural network). The continuous static rock elastic parameters were calculated by fitting the triaxial test data with well logging data, and the static elastic parameters with good correlation with the brittleness index of shale minerals were selected as the sample data of the BP neural network model. A dataset of 1970 data points, characterized by Young’s modulus, Poisson’s ratio, shear modulus, and the mineral brittleness index, was constructed. A total of 367 sets of data points from well Z4 were randomly retained as model validation data, and 1603 sets of data points from the other three wells were divided into model training data and test data at a ratio of 7:3. The calculation accuracy of the model with different numbers of nodes was analyzed and the key parameters of the BP neural network structure such as the number of input layers, the number of output layers, the number of hidden layers, and the number of neurons were determined. The gradient descent method was used to determine the weight and bias of the model parameters with the smallest error, the BP neural network model was trained, and the stability of the brittleness index prediction model of the BP neural network was verified by posterior data. After obtaining Young’s modulus, Poisson’s ratio, and shear modulus through pre-stack seismic inversion, the BP neural network model established in this study was used to predict the brittleness index distribution of the target layer in the study area. Compared with the conventional Rickman method, the prediction coincidence rate is 69.16%, and the prediction coincidence rate between the prediction results and the real value is 95.79%, which is 26.63% higher. The BP neural network method proposed in this paper provides a reliable new method for seismic prediction of the shale reservoir brittleness index, which has important practical significance for clarifying the shale gas development scheme and improving shale gas exploitation efficiency. Full article

During the hot pressing of pure titanium and different carbon steels in a temperature range of $\vartheta$ = 950–1050 $°\mathrm{C}$, a compound layer up to d_L≈10 $\mu \mathrm{m}$ thick is formed at the titanium–steel interface. With a higher carbon content of the used steel, the layer thickness increases. The carbon concentration within the layer is in the range of stoichiometry for TiC. Apart from TiC, no other phases can be detected by X-ray diffraction (XRD) measurements inside the formed layer. The calculation of the activation energy for the TiC layer formation is Q = 126.5–136.7 $\mathrm{kJ}$ mol⁻¹ and is independent of the carbon content of the steel. The resulting microstructure has a grain size gradient, wherein the mechanical properties, such as hardness and Young‘s modulus, are almost constant. Statistical analysis using Response Surface Methodology (RSM) indicates that the carbon content of the steel has the most significant influence on layer thickness, followed by annealing temperature and annealing time. By selecting the appropriate carbon steel and the subsequent removal of the steel, it is possible to produce targeted TiC layers on titanium substrates, which holds enormous potential for this material in wear-intensive applications. Full article

Currently, there is a lot of interest in smart sensors and integrated composite materials in various industries such as construction, aviation, automobile, medical, information technology, communication, and manufacturing. Here, a new conceptual design for a force and temperature sensor system is developed using fiber-optic Bragg grating sensors embedded within composite materials, and a mathematical model is proposed that allows one to estimate strain and temperature based on signals obtained from the optical Bragg gratings. This is important for understanding the behaviors of sensors under different conditions and for creating effective monitoring systems. Describing the strain gradient distribution, especially considering different materials with different Young’s modulus values, provides insight into how different materials respond to applied forces and temperature changes. The shape of the strain gradient distribution was obtained, which is a quadratic function with a maximum value of 1500 µ, with a maximum value at the center of the lattice and a symmetrically decreasing strain value with distance from the central part of the fiber Bragg grating. With the axial strain at the installation site of the Bragg grating sensor under applied force values ranging from 10 to 11 N, the change in strain was linear. As a result of theoretical research, it was found that the developed system with fiber-optic sensors based on Bragg gratings embedded in composite materials is resistant to external influences and temperature changes. Full article

The vibrations in functionally graded porous Cu-Si microcantilever beams are investigated based on physical neutral plane theory, modified coupled stress theory, and scale distribution theory (MCST&SDT). Porous microcantilever beams define four pore distributions. Considering the physical neutral plane theory, the material properties of the beams are computed through four different power-law distributions. The material properties of microcantilever beams are corrected by scale effects based on modified coupled stress theory. Considering the fluid driving force, the amplitude-frequency response spectra and resonant frequencies of the porous microcantilever beam in three different fluids are obtained based on the Euler–Bernoulli beam theory. The quality factors of porous microcantilever beams in three different fluids are derived by estimating the equation. The computational analysis shows that the presence of pores in microcantilever beams leads to a decrease in Young’s modulus. Different pore distributions affect the material properties to different degrees. The gain effect of the scale effect is weakened, but the one-dimensional temperature field and amplitude-frequency response spectra show an increasing trend. The quality factor is decreased by porosity, and the degree of influence of porosity increases as the beam thickness increases. The gradient factor n has a greater effect on the resonant frequency. The effect of porosity on the resonant frequency is negatively correlated when the gradient factor is small ($n<1$) but positively correlated when the gradient factor is large ($n>1$). Full article