Search Results (151)

This work presents the development of a novel multi-scale modeling framework for investigating the beneficial impact of Ti-, Zr-, and V-doped magnesium hydride nanomaterials on hydrogen storage performance. The proposed model integrates atomistic-scale simulations based on density functional theory (DFT) with system-level dynamic heat and mass transfer modeling. At the nanoscale, DFT analysis provides key thermodynamic and kinetic parameters, including reaction enthalpy, entropy, and activation energy, which are incorporated into the macroscopic model to predict the hydrogenation behavior of MgH₂ nanostructures under realistic thermal boundary conditions. Model validation is performed through comparison with experimental data from the literature, showing excellent agreement. The DFT analysis reveals that doping MgH₂ nanomaterials with Ti, V, and Zr modifies their thermodynamic properties, including enthalpy of formation and desorption temperature. At the reactor scale, these modifications lead to enhanced hydrogenation kinetics and improved thermal management. Compared to pristine MgH₂, hydrogenation time is reduced by 21%, 40%, and 42% for Ti-, Zr-, and V-doped nanomaterials, respectively, while thermal energy consumption during hydrogenation decreases by ~17% for V doping. These results highlight the strong correlation between nanoscale modifications and macroscopic system performance. The proposed multi-scale model provides a powerful tool for guiding the design and optimization of advanced nanostructured hydrogen storage materials for sustainable energy applications. Full article

This study addresses recurring failures of a gas boiler with a steam capacity of 65,000 kg/h, which is operating in a Polish industrial plant. To determine the cause, material examinations were carried out, including chemical composition and microstructural analysis of SA178A steel, as well as strength tests. The results revealed no significant material degradation outside the cracking zones, suggesting that the failures were primarily caused by thermo-mechanical interactions. A finite element model in Ansys Workbench software was developed, incorporating thermal and mechanical boundary conditions, to reproduce the behavior of the critical section. The analysis demonstrated stress concentrations at the junction between the box and the membrane wall, resulting from large thermal displacement differences. The plastic strains under static loading do not exceed 5%, which implies that, without considering the cyclic nature of boiler operation, the wall should not experience failure. Analysis taking into account only 3 full operating cycles indicates a continuous increase in plastic deformation, which leads to the occurrence of ratcheting. To mitigate these effects, a modification of the sealing box design was proposed. Simulations indicated a reduction in plasticized zones by approximately 65%, and the effectiveness of the solution was confirmed by two years of failure-free operation. The findings highlight the importance of an integrated diagnostic, numerical, and design approach to improving boiler durability. Full article

High-speed propulsion systems require supersonic inlets for operation; however, these inlets lose efficiency when the flight speed range is wide. Fixed-geometry inlets designed for particular conditions encounter operational difficulties when running at supercritical speeds, including shockwave instabilities and pressure reduction, limiting their operational speed and altitude range. Increasing inlet flexibility is a critical requirement for aerospace systems that need multivariable propulsion capabilities for civilian and military operations. This study, based on a supersonic inlet whose design flight Mach number is 2.2, determines its operational performance when operating at a speed of Mach 3 and then investigates modifications for expanding its operational boundaries with variable geometry components. This study used computational fluid dynamics in ANSYS Fluent with the k-ω SST turbulence model for airflow analysis. The methodology starts with Mach 2.2 baseline validation before proceeding to the Mach 3 investigation at different upward cowl-lip deflection angles ranging from 5° to 16°. This study conducted tests with a bleed slot and a 6 mm semi-conical bump to practically diminish unstart occurrences and treatment of shock–boundary-layer interactions. The results showed that a lip deflection angle of 15° upward delivers maximum operational efficiency on Mach 3 in terms of compression efficiency, flow deceleration, and flow uniformity at the inlet exit, as it generates an exit Mach number of 1.9, identical to that of the unmodified baseline operating at Mach 2.2, while a 5° deflection upward has shown the best values for total pressure recovery. Bleed slot implementation with the bump shape decreased unstart effects at a backpressure 30 times bigger than ambient pressure and produced stable flow despite a total pressure recovery drop of 8.5%. At Mach 3, with 15 km altitude, these modifications allow the system to operate with similar effectiveness as the baseline design at lower speeds. This study introduces a method for modifying a fixed-geometry inlet and extending its limitations, offering a pathway for adaptable supersonic inlets. The findings contribute to propulsion systems design by introducing a simple method for applying geometrical variations with less mechanical complexity compared to traditional variable geometry inlets. They change the entire throat area, supporting the design of supersonic vehicles and sustainable supersonic travel. Full article

This study systematically investigates the influence of Zr additions (0–0.24 wt.%) on the microstructure evolution and mechanical properties of Al–4.0Cu–0.5Mg–0.5Zn–0.5Mn–0.4Ag alloys under peak-aged conditions. Alloys were subjected to homogenization (420 °C/8 h + 510 °C/16 h), solution treatment (510 °C/1.5 h), and aging (190 °C/3 h). Microstructural characterization via OM, SEM, EBSD, and TEM revealed that Zr refines grains and enhances recrystallization resistance through coherent Al₃Zr precipitates, which pin grain boundaries and dislocations. However, excessive Zr (0.24 wt.%) induces heterogeneous grain size distribution and significant Schmid factor variations, promoting stress concentration and premature intergranular cracking. Crucially, Al₃Zr particles act as heterogeneous nucleation sites for Ω-phase precipitates, accelerating their nucleation near grain boundaries, refining precipitates, and narrowing precipitate-free zones (PFZs). Mechanical testing demonstrated that the Al–4.0Cu–0.5Mg–0.5Zn–0.5Mn–0.4Ag alloy exhibits optimal properties: peak tensile strength of 368.8 MPa and 79.8% tensile strength retention at 200 °C. These improvements are attributed to synergistic microstructural modifications driven by controlled Zr addition, establishing Al–4.0Cu–0.5Mg–0.5Zn–0.5Mn–0.4Ag–0.16Zr as a promising candidate for high-temperature aerospace applications. Full article

This article is devoted to the prediction of the service life of selected structural materials under simulated operating conditions. Special attention is paid to the so-called representative volume element, which characterizes the damage behaviour, since it includes a critical number of microdefects. The overall damage prediction is based on the energy approach, and the development of damage comes from the traction separation laws; the shape of the damage varies for different materials. The calculations were performed using the extended finite element method (XFEM), where several minor modifications were made. This method has been successfully used in many areas of engineering sciences for research, simulation, and prediction of the behaviour of structures. XFEM reformulates the continuous boundary and initial value problems into similar variational forms instead of using the classical forms of differential equations. The simulation of fracture and damage phenomena is presented for two different materials: austenitic steel with a pronounced grain structure under creep (viscous) loading conditions and cement pasta reinforced with metal fibres under conditions of predominantly static loading. Full article

This study investigated the influence of manganese (Mn) on microstructure evolution and property optimization in Al-0.6Mg-0.58Si-0.24Fe-xMn alloys under both as-cast and hot-extruded conditions. The balance mechanisms of Mn in tensile properties and electrical conductivity of Al-Mg-Si alloy were elucidated, achieving synergistic optimization of strength-elongation-conductivity. For non-equilibrium solidified as-cast alloys, JMatPro simulations coupled with Fe-rich phase size statistics reveal an inhibitory effect of Mn on β-Al₅FeSi phase formation. Matthiessen’s rule analysis quantitatively clarifies Mn-induced resistivity variations through solid solution and phase morphology modifications. In hot-extruded alloys, TEM characterization was used to analyze the structure of Al-Fe-Mn-Si quaternary compounds and clarify their combined effects with typical Mg₂Si phases on dislocation and subgrain configurations. The as-cast Al-0.6Mg-0.58Si-0.24Fe-0.18Mn alloy demonstrate comprehensive properties with ultimate tensile strength, elongation and electrical conductivity. The contributions of dislocations, grain boundaries and precipitates to resistivity are relatively minor, so the main source of resistivity in hot-extruded alloys is still Mn. The hot-extruded alloy containing 0.18 wt.% Mn still has better properties, with a tensile strength of 176 MPa, elongation of 24% and conductivity of 48.07 %IACS. Full article

In the context of the current global transition toward low-carbon energy, the issue of $C{O}_2$ utilization has become increasingly important. One of the most promising natural targets for $C{O}_2$ sequestration is the terrigenous sedimentary formations found in oil, gas, and coal basins. It is generally assumed that $C{O}_2$ injected into such formations can be stored indefinitely in a stable form. However, the dissolution of $C{O}_2$ into subsurface water leads to a reduction in pH, which may cause partial dissolution of the host formation, altering the structure of the subsurface in the injection zone. This process is relatively slow, potentially unfolding over decades or even centuries, and its long-term consequences require careful investigation through mathematical modeling. The geological formation is treated as a partially soluble porous medium, where the dissolution rate is governed by surface chemical reactions occurring at the pore boundaries. In this study, we present an applied mathematical model that captures the coupled processes of mass transport, surface chemical reactions, and the resulting microscopic changes in the pore structure of the formation. To ensure the model remains grounded in realistic geological conditions, we based it on exploration data characterizing the composition and microstructure of the pore space typical of the Cenomanian suite in northern Western Siberia. The model incorporates the dominant geochemical reactions involving calcium carbonate (calcite, $CaC{O}_3$), characteristic of Cenomanian reservoir rocks. It describes the dissolution of $C{O}_2$ in the pore fluid and the associated evolution of ion concentrations, specifically $H^{+}$, $C{a}^{2+}$, and $HC{O}_3^{-}$. The input parameters are derived from experimental data. While the model focuses on calcite-based formations, the algorithm can be adapted to other mineralogies with appropriate modifications to the reaction terms. The simulation domain is defined as a cubic region with a side length of 1 $\mathsf{\mu }$m, representing a fragment of the geological formation with a porosity of 0.33. The pore space is initially filled with a mixture of liquid $C{O}_2$ and water at known saturation levels. The mathematical framework consists of a system of diffusion–reaction equations describing the dissolution of $C{O}_2$ in water and the subsequent mineral dissolution, coupled with a model for surface evolution of the solid phase. This model enables calculation of surface reaction rates within the porous medium and estimates the timescales over which significant changes in pore structure may occur, depending on the relative saturations of water and liquid $C{O}_2$. Full article

This work presents a semi-classical, quantum-corrected model of gravitational collapse for a charged, spherically symmetric dust cloud, extending the classical Oppenheimer–Snyder (OS) framework through loop quantum gravity effects. Our goal is to study phenomenological quantum modifications to geometry, without necessarily embedding them within full loop quantum gravity (LQG). Building upon the quantum Oppenheimer–Snyder (qOS) model, which replaces the classical singularity with a nonsingular bounce via a modified Friedmann equation, we introduce electric and magnetic charges concentrated on a massive thin shell at the boundary of the dust ball. The resulting exterior spacetime generalizes the Schwarzschild solution to a charged, regular black hole geometry akin to a quantum-corrected Reissner–Nordström metric. The Israel junction conditions are applied to match the interior APS (Ashtekar–Pawlowski–Singh) cosmological solution to the charged exterior, yielding constraints on the shell’s mass, pressure, and energy. Stability conditions are derived, including a minimum radius preventing full collapse and ensuring positivity of energy density. This study also examines the geodesic structure around the black hole, focusing on null circular orbits and effective potentials, with implications for the observational signatures of such quantum-corrected compact objects. Full article

In this case study, we used the Delta Simulation Model II (DSM2) to study the salt balance at the land–water interface in the river delta of California’s San Francisco Estuary. Drainage, a source of water and salt for adjacent channels in the study area, is affected by channel salinity. The DSM2 approach has been adopted by several hydrodynamic models of the estuary to enforce water volume balance between diversions, evapotranspiration and drainage at the land–water interface, but does not explicitly enforce salt balance. We found deviations from salt balance to be quite large, albeit variable in magnitude due to the heterogeneity of hydrodynamic and salinity conditions across the study area. We implemented a procedure that approximately enforces salt balance through iterative updates of the baseline drain salinity boundary conditions (termed loose coupling). We found a reasonable comparison with field measurements of drainage salinity. In particular, the adjusted boundary conditions appear to capture the range of observed interannual variability better than the baseline periodic estimates. The effect of the iterative adjustment procedure on channel salinity showed substantial spatial variability: locations dominated by large flows were minimally impacted, and in lower flow channels, deviations between baseline and adjusted channel salinity series were notable, particularly during the irrigation season. This approach, which has the potential to enhance the simulation of extreme salinity intrusion events (when high channel salinity significantly impacts drainage salinity), is essential for robustly modeling hydrodynamic conditions that pre-date contemporary water management infrastructure. We discuss limitations associated with this approach and recommend that—for this case study—further improvements could best be accomplished through code modification rather than coupling of transport and island water balance models. Full article

This study investigates the thermal response and surface modification of low-carbon manganese-alloyed 20GL steel during electrolytic plasma hardening. The objective was to evaluate the feasibility of surface hardening 20GL steel—traditionally considered difficult to quench—by combining high-rate surface heating with rapid cooling in an electrolyte medium. To achieve this, a transient two-dimensional heat conduction model was developed to simulate temperature evolution in the steel sample under three voltage regimes. The model accounted for dynamic thermal properties and non-linear boundary conditions, focusing on temperature gradients across the thickness. Experimental temperature measurements were obtained using a K-type thermocouple embedded at a depth of 2 mm, with corrections for sensor inertia based on exponential response behavior. A comparison between simulation and experiment was conducted, focusing on peak temperatures, heating and cooling rates, and the effective thermal penetration depth. Microhardness profiling and metallographic examination confirmed surface strengthening and structural refinement, which intensified with increasing voltage. Importantly, the study identified a critical cooling rate threshold of approximately 50 °C/s required to initiate martensitic transformation in 20GL steel. These findings provide a foundation for future optimization of quenching strategies for low-carbon steels by offering insight into the interplay between thermal fluxes, surface kinetics, and process parameters. Full article

As an emerging energy-saving approach, bio-inspired drag reduction technology has become a key research direction for reducing energy consumption and greenhouse gas emissions. This study introduces the latest research progress on bio-inspired microstructured surfaces in the field of underwater drag reduction, focusing on analyzing the drag reduction mechanism, preparation process, and application effect of the three major technological paths; namely, bio-inspired non-smooth surfaces, bio-inspired superhydrophobic surfaces, and bio-inspired modified coatings. Bio-inspired non-smooth surfaces can significantly reduce the wall shear stress by regulating the flow characteristics of the turbulent boundary layer through microstructure design. Bio-inspired superhydrophobic surfaces form stable gas–liquid interfaces through the construction of micro-nanostructures and reduce frictional resistance by utilizing the slip boundary effect. Bio-inspired modified coatings, on the other hand, realize the synergistic function of drag reduction and antifouling through targeted chemical modification of materials and design of micro-nanostructures. Although these technologies have made significant progress in drag reduction performance, their engineering applications still face bottlenecks such as manufacturing process complexity, gas layer stability, and durability. Future research should focus on the analysis of drag reduction mechanisms and optimization of material properties under multi-physical field coupling conditions, the development of efficient and low-cost manufacturing processes, and the enhancement of surface stability and adaptability through dynamic self-healing coatings and smart response materials. It is hoped that the latest research status of bio-inspired drag reduction technology reviewed in this study provides a theoretical basis and technical reference for the sustainable development and energy-saving design of ships and underwater vehicles. Full article

In industrial applications, rolling is commonly performed with lubrication to prevent undesirable modification of the sheet. Although it is well established that lubrication influences the microstructure and texture of deformed sheets through its effect on shear deformation, the underlying mechanisms remain insufficiently understood. In this study, we investigated how lubrication affects slip system activity during asymmetrical rolling, using viscoplastic modeling of BCC ferritic steel. Two conditions—lubricated and non-lubricated samples—were examined under asymmetrical rolling. Slip system activity was inferred from the rotation axes between pairs of orientations separated by low-angle grain boundaries, based on the assumption that such boundaries represent the simplest form of orientation change. A Viscoplastic Self-Consistent (VPSC) model employing an affine linearization scheme was used. This proved sufficient for evaluating slip system activity in BCC polycrystalline metals undergoing early-stage plastic deformation involving either plane strain or combined plane strain and shear. The results demonstrated that lubrication had a limiting effect by reducing the penetration of shear deformation through the thickness of the sample. Understanding this effect could enable the optimization of lubrication strategies—not only to minimize defects such as bending, but also to achieve microstructural characteristics favorable for industrial applications. Full article

Job crafting—employees’ proactive modification of their work—has gained attention as a potential stress management strategy. This study examined how job crafting dimensions moderate relationships between work conditions and stress perceptions. Integrating Effort–Reward Imbalance and Job Demands–Resources models, we tested whether three job crafting dimensions (increasing structural resources, social resources, and challenging demands) moderate the translation of factual work conditions into stress perceptions. Survey data from 376 Italian employees revealed that factual effort and reward indicators positively predicted their perceived counterparts. Contrary to expectations, increasing structural resources amplified rather than buffered the effort perception relationship, suggesting that certain crafting strategies may heighten rather than reduce awareness of work demands. As hypothesized, increasing social resources buffered the effort relationship and strengthened the reward relationship. Increasing challenging demands showed no significant moderating effects. These findings reveal that job crafting dimensions have differential rather than uniformly positive effects on stress perception processes. While social crafting appears consistently beneficial, structural crafting may have unintended consequences under certain conditions. Organizations should recognize that job crafting interventions require nuanced implementation. The study advances theory by demonstrating boundary conditions for job crafting effectiveness and challenging assumptions about its uniformly positive effects. Full article

The challenging terrain and deep ravines that characterize mountainous regions often result in slower path planning and suboptimal flight paths for unmanned aerial vehicles (UAVs) when traditional meta-heuristic optimization algorithms are employed. This study proposes a novel Improved Enhanced Snake Optimizer (IESO) for three-dimensional path planning and tested it in a simulated rugged mountainous terrain with obstacles and a restricted “no-fly zone”. The initialization process in the enhanced snake optimizer is refined by integrating the Chebyshev chaotic map. Additionally, a non-monotonic factor is introduced to modulate the “temperature”. This temperature controls the freedom of movement within the solution space. Furthermore, a boundary condition is incorporated into the dynamic opposition learning mechanism. These modifications collectively reduce the likelihood of population convergence to local optima during optimization. The feasibility of IESO is validated through time complexity and global convergence analyses. Comparative simulation experiments benchmarked IESO against five state-of-the-art biologically inspired optimization algorithms across test functions and path-planning simulated scenarios. Experimental results show that compared with five commonly used algorithms, the IESO algorithm improves the quality of flight trajectory planning by nearly 30% on average. Particularly when compared to the original SO algorithm, IESO demonstrates performance enhancement exceeding 36%, proving its superiority in UAV path planning over complex terrain. Full article

This study focuses on optimizing the shape of columns, particularly considering advanced material distributions that respond to specific load cases. Utilizing a variational method, equations describing movement and boundary conditions are established. This research, while adhering to a static and kinetic criterion for stability loss, identifies the optimal geometric parameters for the columns constructed from specific materials to achieve maximum critical load capacity. It is assumed that the total volume of the system does not change. The innovation of the presented research is the use of a simulated annealing algorithm to optimally shape the column outline in terms of the maximum critical force value, which depends on many material variables. This method was adapted to the calculations of slender rod systems by introducing a number of modifications. The obtained increases in the critical load reach up to 40% compared to the prismatic system. The results also show that it is possible to control the dynamic properties in column structures while increasing the stability of the system. This study underscores the significant role of material selection and optimization in enhancing the dynamic stability and load-bearing capacity of column structures. Full article