Search Results (273)

As high-speed railway systems continue to develop toward intelligent operation, axle box bearings integrated with sensors have become key components for real-time condition monitoring. However, introducing sensor-embedded slots disrupts the structural continuity and thermal conduction paths of traditional bearing rings. This results in localized stress concentrations and thermal distortion, which compromise the bearing’s overall performance and service life. This study focuses on a double-row tapered roller bearing used in axle boxes and develops a multi-physics finite element model incorporating the effects of sensor-embedded grooves, based on Hertzian contact theory and the Palmgren frictional heat model. Both contact load verification and thermo-mechanical coupling analysis were performed to evaluate the influence of two key design parameters—groove depth and arc length—on equivalent stress, temperature distribution, and thermo-mechanical coupling deformation. The results show that the embedded slot structure significantly alters the local thermodynamic response. Especially when the slot depth reaches a certain value, both stress and deformation due to thermo-mechanical effects exhibit obvious nonlinear escalation. During the design process, the length and depth of the arc-shaped embedded slot, among other parameters, should be strictly controlled. The study of the stress and temperature characteristics under the thermos-mechanical coupling effect of the axle box bearing is of crucial importance for the design of the intelligent bearing body structure and safety assessment. Full article

In global cold regions and seasonal frozen soil areas, frost heave failure of rock slopes severely endangers infrastructure safety, particularly along China’s Sichuan–Tibet and Qinghai–Tibet Railways. To address this, a meshless numerical model based on the smoothed particle hydrodynamics (SPH) method was developed to simulate progressive frost heave and fracture of water-saturated fissured rock masses—its novelty lies in avoiding grid distortion and artificial crack path assumptions of FEM as well as complex parameter calibration of DEM by integrating the maximum tensile stress criterion (with a binary fracture marker for particle failure), thermodynamic phase change theory (classifying fissure water into water, ice-water mixed, and ice particles), and the equivalent thermal expansion coefficient method to quantify frost heave force. Systematic simulations of fissure parameters (inclination angle, length, number, and row number) revealed that these factors significantly shape failure modes: longer fissures and more rows shift failure from strip-like to tree-like/network-like, more fissures accelerate crack coalescence, and larger inclination angles converge stress to fissure tips. This study clarifies key mechanisms and provides a theoretical/numerical reference for cold region rock slope stability control. Full article

We present a novel approach for the synthesis of crystalline zinc oxide (ZnO) nanopowders based on the direct interaction of high-power microwave radiation with a zinc wire in atmospheric air. The process utilizes a localized microwave-induced plasma to rapidly vaporize the metal, followed by oxidation and condensation, resulting in the deposition of ZnO nanostructures on glass substrates. Plasma diagnostics confirmed the generation of a plasma in local thermodynamic equilibrium (LTE), characterized by high electron temperatures. Optical emission spectroscopy highlighted atomic species such as ZnI, ZnII, OI, OII, and NI, as well as molecular species including OH, N₂ and O₂. The spectral fingerprint of N₂ molecules reveals the presence of high energy electrons, while the persistent occurrence of OI and OII emission lines throughout the plasma spectrum reveals that ZnO formation is mainly driven by the continuous dissociation of molecular oxygen. High crystallinity and chemical purity of the synthesized ZnO nanoparticles were confirmed through SEM, TEM, XRD, FTIR, and EDX characterization. The resulting nanorods exhibit a rod-like morphology, with diameters ranging from 12 nm to 63 nm and lengths between 58 nm and 354 nm. This low-cost, high-yield method offers a scalable and efficient route for metal oxide nanomaterial fabrication via direct metal–microwave coupling, providing a promising alternative to conventional physical and chemical synthesis techniques. Full article

Water pollution by organic dyes poses serious environmental and health challenges, demanding efficient and selective remediation methods. In this study, we engineered tailored organo-clay nanocomposites by modifying montmorillonite with hexadecyltrimethylammonium bromide (HTAB) and intercalating polyethylene glycol (PEG) chains of two distinct molecular weights (PEG200 and PEG4000). Comprehensive characterization techniques (XRD, FTIR, SEM, zeta potential, and TGA) confirmed the successful modification of the composites. Notably, PEG4000 promoted significant interlayer expansion, as evidenced by the shift of the (00l) reflection corresponding to the basal spacing d, indicating an increase in basal spacing. This expansion contributed to the formation of a well-ordered porous framework with uniformly distributed pores. In contrast, PEG200 produced smaller pores with a more uniform distribution but induced less pronounced interlayer expansion. Adsorption tests demonstrated rapid kinetics, achieving equilibrium in under 15 min, and impressive capacities: 420 mg/g of methylene blue (MB) adsorbed on PEG200/MMT@HTAB, and 385 mg/g of Congo red (CR) on PEG4000/MMT@HTAB. The crucial role of PEG chain length in adsorption selectivity was assessed, showing that shorter PEG chains favored methylene blue adsorption by producing narrower pores and faster kinetics, while longer PEG chains enhanced CR uptake via a stable, interconnected pore network that facilitates diffusion of larger dye molecules. Thermodynamic and Dubinin–Radushkevich analyses confirmed that the adsorption was spontaneous, exothermic, and predominantly driven by physical adsorption mechanisms involving weak van der Waals and dipole interactions. These findings highlight the potential of PEG-modified montmorillonite nanocomposites as cost-effective, efficient, and tunable adsorbents for rapid and selective removal of organic dyes in wastewater treatment. Full article

The paradigm of molecular-network conformations in Se-rich glassy arsenoselenides As_xSe_100−x compositionally approaching pure Se (x < 10) is considered, employing comprehensive XRD analysis of diffuse peak-halos and nanocrystalline reflections from the known Se polymorphs in their XRD patterns. Within a modified microcrystalline model, the changes with growing Se content in these alloys are interpreted in terms of suppression in intermediate range ordering due to shifting to high diffraction angles and a narrowed FSDP (first sharp diffraction peak)-related diffuse peak-halo, accompanied by enhancement in extended range ordering due to a shift to low diffraction angles and a broadened SSDP (second sharp diffraction peak)-related peak-halo. Overlapping of these peak-halos is enhanced in Se-rich alloys, tending towards unified FSDP-SSDP-related halos with characteristic doublet asymmetry due to the remnants of nanocrystalline trigonal t-Se. Drastic enhancement of the crystallization processes related to the trigonal t-Se phase is a principal feature of nanostructurization effects in Se-rich glassy arsenoselenides driven by nanomilling. The nanostructurization response in these alloys is revealed as a fragmentation impact on the correlation length of the FSDP-responsible entities, accompanied by an agglomeration impact on the correlation length of the SSDP-responsible entities. The FSDP- and SSDP-related diffuse peak-halos become more distinguishable in the XRD patterning of nanostructured arsenoselenides, being associated with other contributions from crystalline remnants, such as those expected in transition to glassy arsenoselenides with higher Se content. An irregular sequence of randomly distributed cis- and trans-configurated multiatomic Se linkages is visualized by ab initio quantum-chemical modeling of Se_n chain- and ring-like conformations. The most critical point of molecular-network disproportionality analysis in the examined arsenoselenide As_xSe_100−x glassy alloys obeying the chain-crossing model corresponds to x = 7 (equivalent to 93 at. % of Se in the binary As-Se system), as an equilibrium point between mixed cis-trans-configurated Se₇ chains and exceptionally cis-configurated molecular Se₈ rings. At the basis of developed models, the paradigm of thermodynamically stable molecular-network conformations in the nanostructured Se-rich arsenoselenides As_xSe_100−x (x < 10) is surely resolved in favor of chain-like network-forming conformations composed of mixed cis-trans-configurated network-forming multiatomic Se fragments. Full article

We present a framework that aims to investigate the role of thermal fluctuations in matter composition and color superconductivity in the nucleation of three-flavor deconfined quark matter in the typical conditions of high-energy astrophysical systems related to compact stars. It is usually assumed that the flavor composition is locally fixed during the formation of the first seed of deconfined quark matter, since a weak interaction acts too slowly to re-equilibrate flavors. However, the matter composition fluctuates around its average equilibrium values at the typical temperatures of high-energy astrophysical processes. Here, we extend our previous two-flavor nucleation formalism to a three-flavor case. We develop a thermodynamic framework incorporating finite-size effects and thermal fluctuations in the local composition to compute the nucleation probability as the product of droplet formation and composition fluctuation rates. Moreover, we discuss the role of color superconductivity in nucleation, arguing that it can play a role only in systems larger than the typical coherence length of diquark pairs. We found that thermal fluctuations in the matter composition led to lowering the potential barrier between the metastable hadronic phase and the stable quark phase. Moreover, the formation of diquark pairs reduced the critical radius and thus the potential barrier in the low baryon density and temperature regime. Full article

Under normal conditions, the novel zinc blende beryllium oxide (zb BeO) exhibits in a metastable crystalline phase, which is less stable than its wurtzite counterpart. Ultrathin zb BeO epifilms have recently gained significant interest to create a wide range of advanced high-resolution, high-frequency, flexible, transparent, nano-electronic and nanophotonic modules. BeO-based ultraviolet photodetectors and biosensors are playing important roles in providing safety and efficiency to nuclear reactors for their optimum operations. In thermal management, BeO epifilms have also been used for many high-tech devices including medical equipment. Phonon characteristics of zb BeO at ambient and high-pressure P ≠ 0 GPa are required in the development of electronics that demand enhanced heat dissipation for improving heat sink performance to lower the operating temperature. Here, we have reported methodical simulations to comprehend P-dependent structural, phonon and thermodynamical properties by using a realistic rigid-ion model (RIM). Unlike zb ZnO, the study of the Grüneisen parameter γ(T) and thermal expansion coefficient α(T) in zb BeO has revealed atypical behavior. Possible reasons for such peculiar trends are attributed to the combined effect of the short bond length and strong localization of electron charge close to the small core size Be atom in BeO. Results of RIM calculations are compared/contrasted against the limited experimental and first-principle data. Full article

Leptin is an adipocyte-derived hormone that orchestrates different physiological processes, including energy balance, thermogenesis, immune regulation, reproduction, and tissue remodeling. These effects are mediated through interaction with the CRH2 domain of the leptin receptor (Ob-R). While the structural aspects of the interaction between leptin and Ob-R have been first studied in humans and mice, comparative analyses of stability across mammalian species under physiologically relevant microenvironmental conditions remain limited. We performed a bioinformatics-driven structural, stability, and thermodynamic characterization of the leptin–CRH2 complex. This included structural homology modeling using a full-length template, interface mapping, and binding energy estimation. Additionally, we analyzed the effect of pH, ionic strength, and temperature on complex formation to mimic physiological and pathological tissue conditions to enhance clarity in the structural features and stability of the complex. Our results show that the interaction is primarily enthalpy-driven and is sensitive to temperature, ionic strength, and pH changes for all heterodimers analyzed here. The predicted binding free energy (ΔG) ranged from −10.50 to −16.81 kcal/mol across species. The integrated bioinformatic analyses suggest that subtle sequence variations influence the stability and environmental responsiveness of the complex. This study provides a molecular framework for understanding how leptin–Ob-R binding adapts across species and tissue contexts. Full article

As designers push engine efficiency closer to thermodynamic limits, the analysis of flow instabilities developed in a high-pressure turbine (HPT) is crucial to minimizing aerodynamic losses and optimizing secondary air systems. Purge flow, while essential for protecting turbine components from thermal stress, significantly impacts the overall efficiency of the engine and is strictly connected to cavity modes and rim-seal instabilities. This paper presents an experimental investigation of these instabilities in an HPT stage, tested under engine-representative flow conditions in the short-duration turbine rig of the von Karman Institute. As operating conditions significantly influence instability behavior, this study provides valuable insight for future turbine design. Fast-response pressure measurements reveal asynchronous flow instabilities linked to ingress–egress mechanisms, with intensities modulated by the purge rate (PR). The maximum strength is reached at PR = 1.0%, with comparable intensities persisting for higher rates. For lower PRs, the instability diminishes as the cavity becomes unsealed. An analysis based on the cross-power spectral density is applied to quantify the characteristics of the rotating instabilities. The speed of the asynchronous structures exhibits minimal sensitivity to the PR, approximately 65% of the rotor speed. In contrast, the structures’ length scale shows considerable variation, ranging from 11–12 lobes at PR = 1.0% to 14 lobes for PR = 1.74%. The frequency domain analysis reveals a complex modulation of these instabilities and suggests a potential correlation with low-engine-order fluctuations. Full article

The coordination chemistry, structural characterization, and biomolecular interactions of europium(III) and iron(III) complexes with the pyridoxal-semicarbazone (PLSC) ligand were thoroughly examined using experimental and computational approaches. Single-crystal X-ray diffraction revealed that the europium complex exhibits a nine-coordinate geometry with one protonated and one deprotonated PLSC ligand and nitrato and aqua ligands. In contrast, the iron complex adopts a six-coordinate structure featuring a monoprotonated PLSC, two chlorido, and an aqua ligand. Hirshfeld surface analysis confirmed the significance of intermolecular contacts in stabilizing the crystal lattice. Theoretical geometry optimizations using DFT methods demonstrated excellent agreement with experimental bond lengths and angles, thereby validating the reliability of the chosen computational levels for subsequent quantum chemical analyses. Quantum Theory of Atoms in Molecules (QTAIM) analysis was employed to investigate the nature of metal–ligand interactions, with variations based on the identity of the donor atom and the ligand’s protonation state. The biological potential of the complexes was evaluated through spectrofluorimetric titration and molecular docking. Eu-PLSC displayed stronger binding to human serum albumin (HSA), while Fe-PLSC showed higher affinity for calf thymus DNA (CT-DNA), driven by intercalation. Thermodynamic data confirmed spontaneous and enthalpy-driven interactions. These findings support using PLSC-based metal complexes as promising candidates for future biomedical applications, particularly in drug delivery and DNA targeting. Full article

Air pockets in water distribution networks can cause various operational issues, as their expansion during drainage operations leads to sub-atmospheric conditions that may result in pipeline collapse depending on soil conditions and pipe stiffness. This study presents an analytical solution for calculating air pocket pressure, water column length, and water velocity during drainage operations in a pipeline with an entrapped air pocket and a closed upstream end. The existing system of three differential equations is reduced to two first-order nonlinear differential equations, enabling a rigorous analysis of the existence and uniqueness of solutions. The system is then further reduced to a single secondorder nonlinear ordinary differential equation (ODE), providing an intuitive framework for examining the physical behaviour of the hydraulic and thermodynamic variables. Furthermore, through a change of variables, the second-order ODE is transformed into a first-order linear ODE, facilitating the derivation of an analytical solution. The analytical solution is validated by comparing it with a numerical solution. Additionally, a practical application demonstrates the effectiveness of the developed tool in predicting the extreme pressure values in the air pocket during the water drainage process in a pipe, within a controlled environment. Full article

This second part of this companion paper the Carnot cycle is analyzed trying to investigate the similarities and differences between a framework related to thermodynamics and one related to information theory. The parametric Schrodinger equations are the starting point for the framing. In the thermodynamics frame, a new interpretation of the free energy in the isothermal expansion and a new interpretation of the entropy in the adiabatic phase are highlighted. The same Schrodinger equations are then applied in an information theory framework. Again, it is shown that a cycle can be constructed with a diagram that presents the Lagrange parameter and the average codeword length as coordinates. In this case the adiabatic phase consists of a transcoding operation and the cycle as a whole shows a positive or negative balance of information. In conclusion, the Carnot cycle continues to be a source of knowledge of complex systems in which entropy plays a central role. Full article

This paper discusses the thermal and exergy efficiency analysis of the hydrothermal liquefaction (HTL) process, which converts sewage sludge into biocrude oil in a continuous plug–flow reactor using a linear Fresnel solar collector. The investigation focuses on the influence of key operational parameters, including slurry flow rate, temperature, pressure, residence time, and the external heat transfer coefficient, on the overall efficiency of biocrude oil production. A detailed thermodynamic evaluation was conducted using process simulation principles and a kinetic model to assess mass and energy balances within the HTL reaction, considering heat and mass momentum exchange in a multiphase system using UDF. The reactor’s receiver, a copper absorber tube, has a total length of 20 m and is designed in a coiled configuration from the base to enhance heat absorption efficiency. To optimize the thermal performance of biomass conversion in the HTL process, a Computational Fluid Dynamics–Discrete Element Method (CFD-DEM) coupling numerical method approach was employed to investigate improved thermal performance by obtaining a heat source solely through solar energy. This numerical modeling approach allows for an in-depth assessment of heat transfer mechanisms and fluid-particle interactions, ensuring efficient energy utilization and sustainable process development. The findings contribute to advancing solar-driven HTL technologies by maximizing thermal efficiency and minimizing external energy requirements. Full article

To investigate the performance of high-speed miniaturized screw refrigeration compressors, this study designed rotors with identical theoretical displacement but varying rated speeds. A normalized analysis established quantitative evaluation criteria for geometric performance, while an exergy analysis model assessed leakage exergy losses. Thermodynamic modeling evaluated the impact of different clearances and rated speeds on performance. Computational fluid dynamics (CFD) simulations analyzed the gas forces and torque acting on the rotors. The rate of efficiency improvement with increasing speed follows a non-linear relationship, demonstrating diminishing returns at ultra-high speeds, where further speed elevation provides negligible efficiency gains. This study reveals that, while tip-housing leakage represents the largest volumetric leakage in screw compressors, interlobe leakage contributes the most significantly to power losses. When the rated speed increases from 3000 rpm to 15,000 rpm, interlobe leakage remains the dominant source of power loss, with its relative contribution showing a marked increase. For compressors with identical cylinder dimensions, reducing the number of lobes decreases the discharge pressure fluctuations and power consumption. Larger wrap angles increase the contact line length and discharge port area, reducing the volumetric efficiency while creating a trade-off between leakage and discharge losses, resulting in an optimal wrap angle that maximizes the adiabatic efficiency. Full article

Fractals are geometric patterns that appear self-similar across all length scales and are constructed by repeating a single unit on a regular basis. Entropy, as a core thermodynamic function, is an extension based on information theory (such as Shannon entropy) that is used to describe the topological structural complexity or degree of disorder in networks. Topological indices, as graph invariants, provide quantitative descriptors for characterizing global structural properties. In this paper, we investigate two types of generalized Sierpiński graphs constructed on the basis of different seed graphs, and employ six topological indices—the first Zagreb index, the second Zagreb index, the forgotten index, the augmented Zagreb index, the Sombor index, and the elliptic Sombor index—to analyze the corresponding entropy. We utilize the method of edge partition based on vertex degrees and derive analytical formulations for the first Zagreb entropy, the second Zagreb entropy, the forgotten entropy, the augmented Zagreb entropy, the Sombor entropy, and the elliptic Sombor entropy. This research approach, which integrates entropy with Sierpiński network characteristics, furnishes novel perspectives and instrumental tools for addressing challenges in chemical graph theory, computer networks, and other related fields. Full article