Search Results (278)

The microcrack initiation and evolution behavior of Fe-C alloy under uniaxial tensile loading are investigated using molecular dynamics (MD) simulations. The model is stretched along the z-axis at a strain rate of 2 × 10⁹ s⁻¹ and temperatures ranging from 300 to 1100 K, aiming to elucidate the microscopic deformation mechanisms during crack evolution under varying thermal conditions. The results indicate that the yield strength of Fe-C alloy decreases with a rising temperature, accompanied by a 25.2% reduction in peak stress. Within the temperature range of 300–700 K, stress–strain curves exhibit a dual-peak trend: the first peak arises from stress-induced transformations in the internal crystal structure, while the second peak corresponds to void nucleation and growth. At 900–1100 K, stress curves display a single-peak pattern, followed by rapid stress decline due to accelerated void coalescence. Structural evolution analysis reveals sequential phase transitions: initial BCC-to-FCC and -HCP transformations occur during deformation, followed by reversion to BCC and unidentified structures post-crack formation. Elevated temperatures enhance atomic mobility, increasing the proportion of disordered/unknown structures and accelerating material failure. Higher temperatures promote faster potential energy equilibration, primarily through accelerated void growth, which drives rapid energy dissipation. Full article

Solid-state lithium batteries (SSLBs) have emerged as a promising alternative to conventional lithium-ion systems due to their superior safety profile, higher energy density, and potential compatibility with lithium metal anodes. However, a major challenge hindering their widespread deployment is the formation and growth of lithium dendrites, which compromise both performance and safety. This review provides a comprehensive and structured overview of recent advances in dendrite suppression strategies, with special emphasis on the role played by the nature of the solid electrolyte. In particular, we examine suppression mechanisms and material innovations within the three main classes of solid electrolytes: sulfide-based, oxide-based, and polymer-based systems. Each electrolyte class presents distinct advantages and challenges in relation to dendrite behavior. Sulfide electrolytes, known for their high ionic conductivity and good interfacial wettability, suffer from poor mechanical strength and chemical instability. Oxide electrolytes exhibit excellent electrochemical stability and mechanical rigidity but often face high interfacial resistance. Polymer electrolytes, while mechanically flexible and easy to process, generally have lower ionic conductivity and limited thermal stability. This review discusses how these intrinsic properties influence dendrite nucleation and propagation, including the role of interfacial stress, grain boundaries, void formation, and electrochemical heterogeneity. To mitigate dendrite formation, we explore a variety of strategies including interfacial engineering (e.g., the use of artificial interlayers, surface coatings, and chemical additives), mechanical reinforcement (e.g., incorporation of nanostructured or gradient architectures, pressure modulation, and self-healing materials), and modifications of the solid electrolyte and electrode structure. Additionally, we highlight the critical role of advanced characterization techniques—such as in situ electron microscopy, synchrotron-based X-ray diffraction, vibrational spectroscopy, and nuclear magnetic resonance (NMR)—for elucidating dendrite formation mechanisms and evaluating the effectiveness of suppression strategies in real time. By integrating recent experimental and theoretical insights across multiple disciplines, this review identifies key limitations in current approaches and outlines emerging research directions. These include the design of multifunctional interphases, hybrid electrolytes, and real-time diagnostic tools aimed at enabling the development of reliable, scalable, and dendrite-free SSLBs suitable for practical applications in next-generation energy storage. Full article

This paper investigates the interplay between rubber network damage, carbon black (CB) network damage, heat exchange, and voiding mechanisms in filled Styrene-butadiene rubber (SBR) under cyclic loading. To do so, three carbon black filled SBR composites, SBR5, SBR30 and SBR60 are studied. The study aims to quantify molecular damage and its role in inducing reversible or irreversible heat flow and voiding behavior to inform the design of more resilient rubber composites with improved fatigue life and thermal management capabilities. The study effectively demonstrated how increasing carbon black content, particularly in SBR60, leads to a shift from mostly reversible to irreversible and cumulative damage mechanisms during cyclic loading, as evidenced by thermal, volumetric, and electrical resistivity changes. In particular, we identify a critical mechanical energy of 7 MJ.m⁻³ associated with such transition. These irreversible changes are strongly linked to the damage and re-arrangement of the carbon black filler network, as well as the rubber chains network and the formation/growth of voids, while reversible mechanisms are likely related to rubber chains alignment associated with entropic elasticity. Full article

Crohn’s disease (CD), characterized by chronic gastrointestinal inflammation, is complicated by intestinal stenosis resulting from dysregulated fibrogenesis and is marked by excessive extracellular matrix (ECM) deposition, fibroblast activation, and luminal obstruction. While biologics control inflammation, their failure to halt fibrosis underscores a critical therapeutic void. Emerging evidence highlights the multifactorial nature of stenosis-associated fibrosis, driven by profibrotic mediators and dysregulated crosstalk among immune, epithelial, and mesenchymal cells. Key pathways, including transforming growth factor (TGF-β), drosophila mothers against decapentaplegic protein (Smad) signaling, Wnt/β-catenin activation, epithelial–mesenchymal transition (EMT), and matrix metalloproteinase (MMP) and tissue inhibitors of metalloproteinase (TIMP)-mediated ECM remodeling, orchestrate fibrotic progression. Despite the current pharmacological, endoscopic, and surgical interventions for fibrostenotic CD, their palliative nature and inability to reverse fibrosis highlight an unmet need for disease-modifying therapies. This review synthesizes mechanistic insights, critiques therapeutic limitations with original perspectives, and proposes a translational roadmap prioritizing biomarker-driven stratification, combinatorial biologics, and mechanistically targeted antifibrotics. Full article

The one-dimensional (1D) Sb(III)-based organic–inorganic hybrid perovskite (AImd)₂¹_∞[SbI₅] (AImd = 1-allylimidazolium) crystallizes in the orthorhombic, centrosymmetric space group Pnma. The structure consists of corner-sharing [SbI₆] octahedra forming 1D chains separated by allylimidazolium cations. Void analysis through Mercury CSD software confirmed a densely packed lattice with a calculated void volume of 1.1%. Integrated quantum theory of atoms in molecules (QTAIM) and non-covalent interactions index (NCI) analyses showed that C–H···I interactions between the cations and the ¹_∞[SbI₅]²⁻ network predominantly stabilize the supramolecular assembly followed by N–H···I hydrogen bonds. The calculated growth morphology (GM) model fits very well to the experimental morphology. UV–Vis diffuse reflectance spectroscopy allowed us to determine the optical band gap to 3.15 eV. Density functional theory (DFT) calculations employing the B3LYP, CAM-B3LYP, and PBE0 functionals were benchmarked against experimental data. CAM-B3LYP best reproduced Sb–I bond lengths, while PBE0 more accurately captured the HOMO–LUMO gap and the associated electronic descriptors. These results support the assignment of an inorganic-to-organic [Sb–I] → π* charge-transfer excitation, and clarify how structural dimensionality and cation identity shape the material’s optoelectronic properties. Full article

The use of adhesive joints in naval applications requires a thorough understanding of their fatigue performance. This paper reports on the fatigue experiments performed on double cantilever beam specimens with thick adhesive bondline manufactured under shipyard conditions. The specimens have an initial crack at the steel–adhesive interface and are tested in unaged, salt-spray-aged and immersion-aged conditions to determine the interface mode I fatigue properties. The strain energy release rate is calculated using the Kanninen–Penado model, and the fatigue crack growth curve is determined using a power law model. The crack growth rate slope for salt-spray-aged specimens is 16.5% lower than for unaged specimens, while that for immersion-aged specimens is 66.1% lower and is shown to be significantly different. The fracture surfaces are analyzed to identify the failure mechanisms and the influence of the aging process on the interface properties. Since the specimens are manufactured under shipyard conditions, the presence of voids and discontinuities in the adhesive bondline is observed and as a result leads to scatter. Hence, Bayesian linear regression is performed in addition to the ordinary least squares regression to account for the scatter and provide a distribution of plausible values for the power law coefficients. The results highlight the impact of aging on the fatigue property, underscoring the importance of considering environmental effects in the qualification of such joints for marine applications. Full article

This study employs molecular dynamics (MD) simulations to investigate the mechanical response and fracture behavior of penta-graphene, a novel two-dimensional carbon allotrope composed entirely of pentagonal rings with mixed sp²–sp³ hybridization and pronounced mechanical anisotropy. Atomistic simulations are carried out to evaluate the impact of structural defects on mechanical performance and to elucidate crack propagation mechanisms. The results reveal that void defects involving sp³-hybridized carbon atoms cause a more significant degradation in mechanical strength compared to those involving sp² atoms. During fracture, local atomic rearrangements and bond reconstructions lead to the formation of energetically favorable ring structures—such as hexagons and octagons—at the crack tip, promoting enhanced energy dissipation and fracture resistance. A central focus of this work is the evaluation of the critical stress intensity factor (SIF) under mixed-mode (I/II) loading conditions. The simulations demonstrate that the critical SIF is influenced by the loading phase angle, with pure mode I exhibiting a higher SIF than pure mode II. Notably, penta-graphene shows a critical SIF significantly higher than that of graphene, indicating exceptional fracture toughness that is rare among ultra-thin two-dimensional materials. This enhanced toughness is primarily attributed to penta-graphene’s capacity for substantial out-of-plane deformation prior to failure, which redistributes stress near the crack tip, delays crack initiation, and increases energy absorption. Additionally, the study examines crack growth paths as a function of loading phase angle, revealing that branching and kinking can occur even under pure mode I loading. Full article

Background/Objectives: The clinically validated multiplex Oncuria bladder cancer (BC) assay quickly and noninvasively identifies disease risk and tracks treatment success by simultaneously profiling 10 protein biomarkers in voided urine samples. Oncuria uses paramagnetic bead-based fluorescence multiplex technology (xMAP^®; Luminex, Austin, TX, USA) to simultaneously measure 10 protein analytes in urine [angiogenin, apolipoprotein E, carbonic anhydrase IX (CA9), interleukin-8, matrix metalloproteinase-9 and -10, alpha-1 anti-trypsin, plasminogen activator inhibitor-1, syndecan-1, and vascular endothelial growth factor]. Methods: In a pilot study (N = 36 subjects; 18 with BC), Oncuria performed essentially identically across three different common analyzers (the laser/flow-based FlexMap 3D and 200 systems, and the LED/image-based MagPix system; Luminex). The current study compared Oncuria performance across instrumentation platforms using a larger study population (N = 181 subjects; 51 with BC). Results: All three analyzers assessed all 10 analytes in identical samples with excellent concordance. The percent coefficient of variation (%CV) in protein concentrations across systems was ≤2.3% for 9/10 analytes, with only CA9 having %CVs > 2.3%. In pairwise correlation plot comparisons between instruments for all 10 biomarkers, R² values were 0.999 for 15/30 comparisons and R² ≥ 0.995 for 27/30 comparisons; CA9 showed the greatest variability (R² = 0.948–0.970). Standard curve slopes were statistically indistinguishable for all 10 biomarkers across analyzers. Conclusions: The Oncuria BC assay generates comprehensive urinary protein signatures useful for assisting BC diagnosis, predicting treatment response, and tracking disease progression and recurrence. The equivalent performance of the multiplex BC assay using three popular analyzers rationalizes test adoption by CLIA (Clinical Laboratory Improvement Amendments) clinical and research laboratories. Full article

In this study, we have explored the thermomechanical processing on 0.1C3Mn steel to produce an ultrafine-grained (UFG) dual-phase (DP) microstructure. The composition was designed to allow a decrease in temperature for the warm deformation of austenite. It was found that the warm deformation of austenite induced a dramatic ferrite transformation, in contrast to the absence of the formation of ferrite in the well-annealed state. Compression by 60% at 650 °C resulted in the generation of a UFG-DP microstructure with a ferrite grain size of 1.4 μm and a ferrite volume fraction of 62%. The UFG-DP 0.1C3Mn steel presents a good combination of strength, ductility and fracture resistance, and the fracture strain of the UFG-DP is higher than the as-quenched low-carbon martensite. The high fracture strain of the UFG-DP could be attributed to delayed void nucleation and constrained void growth, as revealed by the quantitative X-ray tomography. Full article

Background/Objectives: Overactive bladder (OAB), common in elderly women, involves urgency, frequency, and nocturia, with complex phenotypes. The use of neurotrophins as non-invasive urinary biomarkers has been previously explored. The objective of this study was to assess the diagnostic and therapeutic utility of urinary biomarkers in a Canadian population of aging female OAB patients. Methods: We conducted a single-center prospective study of aging female patients diagnosed with OAB and age-matched healthy controls, where we conducted pre- and post-treatment assessments using a combination of clinical questionnaires, voiding diaries, and urinary biomarkers nerve growth factor (NGF), proform of NGF (proNGF), brain-derived neurotrophic factor (BDNF), proform of BDNF (proBDNF), and neurotrophin receptor p75 extracellular domain (p75^ECD)) quantified using ELISA. Baseline and post-treatment urinary biomarker levels in OAB patients were compared with those of controls. Results: OAB patients and controls at baseline displayed significant differences in neurotrophin levels and in their ratios of mature/precursors. In the post-treatment OAB cohort, only NGF and proNGF exhibited significant improvement correlating with clinical symptom relief. Biomarkers in non-responders remained unchanged, suggesting heterogeneity in therapeutic response. Conclusions: Urinary neurotrophins show promise as non-invasive diagnostic markers of OAB and monitoring treatment response in aging female patients. While this study focused on patients broadly diagnosed with OAB, future research should aim to classify OAB subtypes—such as those based on urodynamic studies or underlying pathophysiology—to better understand how urinary neurotrophins can differentiate between mechanisms like detrusor overactivity, detrusor underactivity, or bladder outlet obstruction. This will enhance their relevance in guiding personalized treatment strategies and predicting outcomes. Full article

This study investigates the shell hydroforming of 1.2 mm-thick AA5052 aluminum alloy sheets to produce hemispherical domes which possess inherent spatial symmetry about their central axis. Shell hydroforming is widely used in fabricating lightweight, high-strength components for aerospace, automotive, and energy applications. The forming process was driven by a spatially symmetrical internal pressure distribution applied uniformly across the blank to maintain balanced deformation and minimize geometrical distortion. Experimental trials aimed at achieving a dome depth of 50 mm revealed wrinkle formation at the blank periphery caused by circumferential compressive stresses symmetrical in nature with respect to the dome’s central axis. To better understand the forming behavior, a validated 3D finite element (FE) model was developed, capturing key phenomena such as material flow, strain rate evolution, hydrostatic stress distribution, and wrinkle development under symmetric boundary conditions. The effects of the internal pressure (IP), blank holding force (BHF), coefficient of friction (CoF), and flange radius (FR) were systematically studied. A strain rate of 0.1 s⁻¹ in the final stage improved material flow, while a symmetric tensile hydrostatic stress of 160 MPa facilitated dome expansion. Although tensile stresses can induce void growth, the elevated strain rate helped suppress it. An optimized parameter set of IP = 5.43 MPa, BHF = 140 kN, CoF = 0.04, and FR = 5.42 mm led to successful formation of the 50 mm dome with 19.38% thinning at the apex. Internal pressure was identified as the most critical factor influencing symmetric formability. A process window was established to predict symmetric failure modes such as wrinkling and bursting. Full article

Titanium thin films with thicknesses of up to 105 nm were deposited on borosilicate glass implementing low-power continuous (25 W) and pulsed (85 W, with an ultra-low duty cycle) DC magnetron sputtering. The characteristics of the resulting films were studied via atomic force microscopy (AFM), X-ray photoelectron spectroscopy (XPS), VIS spectroscopy, and four-point-probe measurements. Both deposition modes yield films with low surface roughness, and AFM analysis showed no topographical features indicative of columnar-and-void structures. The films exhibited high optical reflectivity and stable transmittance and reflectance across the visible spectrum. The electric resistivity could be measured even at single nanometer thickness, emphasizing the metallic character of the films and approaching the bulk titanium value at higher film thicknesses. The low power regime of magnetron sputter deposition not only offers the possibility of studying the development of physical characteristics during the growth of ultra-thin films but also provides the advantage of extremely low heat development and no evident mechanical stress on the substrate during the coating process. These results outline a path for low-power DC sputtering as a reliable approach for studying the evolution of functional properties in ultra-thin films and for the gentle fabrication of coatings where thermal stress must be avoided, making the method compatible with temperature-sensitive applications. Full article

This study develops a meso-structural modeling approach for asphalt mixtures by integrating computed tomography (CT) technology and the discrete element method (DEM), which accounts for the morphological characteristics of aggregates, asphalt mortar, and voids. The indirect tensile (IDT) tests of SMA-13 asphalt mixtures, a commonly used skeleton-type asphalt mixture for the surface course of asphalt pavements, were numerically simulated using CT-DEM. Through a comparative analysis of the load–displacement curve, the peak load, and the displacements corresponding to the maximum loads from the IDT tests, the accuracy of the simulation results was validated against the experimental results. Based on the simulation results of the IDT tests, the internal force transfer paths were obtained through post-processing, and the force chain system was identified. The crack propagation paths and failure mechanisms during the IDT tests were analyzed. The research results indicate that under the external load of the IDT test, there are primary force chains in both vertical and horizontal directions within the specimen. The interaction between these vertically and horizontally oriented force chains governs the fracture progression of the specimen. During IDT testing, the internal forces within the aggregate skeleton consistently exceed those within the mortar, while interfacial forces at aggregate–mortar contacts maintain intermediate values. Both the aggregate’s and mortar’s internal forces exhibit strong linear correlations with temperature, with the mortar’s internal forces showing a stronger linear relationship with external loading compared to those within the aggregate skeleton. The evolution of internal meso-cracks progresses through three distinct phases. The stable meso-crack growth phase initiates at 10% of the peak load, followed by the accelerated meso-crack growth phase commencing at the peak load. The fracture-affected zone during IDT testing extends symmetrically 20 mm laterally from the specimen centerline. Initial meso-cracks predominantly develop along aggregate–mortar interfaces and void boundaries, while subsequent propagation primarily occurs through interfacial zones near the main fracture path. The microcrack initiation threshold demonstrates dependence on the material’s strength and deformation capacity. Furthermore, the aggregate–mortar interfacial transition zone is a critical factor dominating crack resistance. Full article

The application of construction and demolition waste (CDW) as roadbed filler faces challenges due to the variable mechanical properties caused by fragile recycled brick aggregates. This study elucidates the breakage mechanism of CDW fillers under compaction effort through a combination of standardized laboratory compaction tests and discrete element method (DEM) simulations. Furthermore, the breakage evolution patterns of mixed fills comprising recycled concrete and brick aggregates at various mixing ratios were revealed. A DEM model was developed to characterize recycled concrete and brick aggregates, adopting polygonal clumps for particles >4.75 mm and spherical clumps for finer fractions. The results indicate that particle breakage progresses through three distinct stages: linear fragment stage (0–200 kJ/m³, 50% of total breakage), deceleration growth stage (200–1000 kJ/m³, 38% of total breakage), and residual crushing stage (1000–2684.9 kJ/m³, 12% of total breakage). Recycled concrete aggregates form a skeleton restraining deep cracks, while brick aggregates enhance stability through energy dissipation and void filling. However, exceeding 30% brick content impedes skeleton development. Critically, a 30% brick content optimizes performance, achieving peak dry density with 25% lower compression deformation than concrete-only fillers, while limiting breakage index rise. These results provide a science-based strategy to optimize CDW roadbed design, improving recycling efficiency and supporting sustainable infrastructure. Full article

Despite the rapid efficiency advancement of perovskite solar cells (PSCs), non-radiative recombination at the buried interface between self-assembled monolayers (SAMs) and perovskite remains a critical bottleneck, primarily due to interfacial defects and energy level mismatch. In this study, we demonstrate a bifunctional interlayer engineering strategy by introducing 4,5-diiodoimidazole (4,5-Di-I) at the Me-4PACz/perovskite interface. This approach uniquely addresses two fundamental limitations of SAM-based interfaces: the insufficient defect passivation capability of conventional Me-4PACz due to steric hindrance effects and the poor perovskite wettability on hydrophobic SAM surfaces that exacerbates interfacial voids. The imidazole derivatives not only form strong Pb–N coordination bonds with undercoordinated Pb²⁺ but also modulate the surface energy of Me-4PACz, enabling the growth of pinhole-free perovskite films with preferential crystal orientation. The champion device with 4,5-Di-I modification achieves a power conversion efficiency (PCE) of 24.10%, with a V_OC enhancement from 1.12 V to 1.14 V, while maintaining 91% of initial PCE after 1300 h in N₂ atmosphere (25 °C), demonstrating superior stability under ISOS-L-2 protocols. This work establishes a universal strategy for interfacial multifunctionality design, proving that simultaneous defect suppression and crystallization control can break the long-standing trade-off between efficiency and stability in solution-processed photovoltaics. Full article