Poly(methyl methacrylate)/poly(ethylene oxide) (PMMA/PEO) blends incorporating Mn0.9Mg0.1WO4, tetrabutylammonium iodide (TBAI), and varying concentrations (0–4 wt
Functionally graded materials (FGMs) provide an avenue to combine two alloys with different primary benefits such as Ti–6Al–4 V (Ti64) and GRCop-42, which expands the bounds of engineering design possibilities. However, direct grading between Ti64 and GRCop-42 via laser powder directed energy deposition (LP-DED) is limited by the formation of brittle Cu–Ti intermetallics. This study utilizes C103 (Nb–Hf–Ti) as a partially successful metallurgical bridge to bypass these deleterious phases. Thermodynamic calculation-informed design was validated through the fabrication of dense, crack-free unidirectional gradients. Mechanical integrity was evaluated using a “tensile sandwich” methodology with digital image correlation. While Ti64–C103 interfaces exhibited superior strength and 45
We examine structural, electronic, optical, elastic, and thermoelectric properties of lead-free double-perovskites K2AgGaX6 (X = Cl, Br, I) by utilizing first principle DFT calculations with the help of TB-mBJ exchange potential and Boltz Trap transport investigation. All three compounds possess a cubic double-perovskite lattice and present indirect band gaps that reduce with halogen mass (Cl → Br → I) owing to spin–orbit coupling and robust orbital overlap. K2AgGaI6 establishes the superior refractive index, dielectric constant, and absorption near its optical edge, representing a promising choice for visible-region optoelectronic devices. Moreover, elastic constants fulfill the Born criteria, verifying mechanical stability. Transport computations unveil halogen- organized trends power factor and Seebeck coefficient at elevated temperature; within the constant-relaxation-time approximation, K2AgGaI6 achieves the maximum PF/τ at 1200 K, while K2AgGaCl6 demonstrates the highest σ/τ. These outcomes simplify composition-property relationships guiding K2AgGaX6 choice for energy-harvesting technologies.
A numerical study is performed using the SCAPS-1D device simulator to analyse the function of Mn(1−X) ZnXOδ for x = 0.02–0.10 as a buffer layer in a CZTS thin-film photovoltaics. The analysis of the proposed structure aims how Mn concentration affects carrier transport, interfacial recombination and photovoltaics performance. Controlled Mn incorporation optimizes band alignment at the buffer/absorber interface, enhancing charge extraction and reducing recombination. The device exhibits utmost power conversion efficiency of 22.24
The high-entropy perovskite Eu(Sc/Cr/Fe/Ni/Al)O3 was investigated to explore its multifunctionality and correlated behavior. Special Quasirandom Structure (SQS)-based X-ray Pair Distribution Function (PDF) analysis reveals anomalously short Eu-Ni and long Ni–O distances, explained by an electrostatic leaning of Ni cations toward Eu at the ground state with bond-valence analysis predicting the coexistence of Ni2+, Cr3+ and Cr4+. Temperature-dependent X-ray diffraction analysis reveals continuous unit-cell contraction upon cooling, with anomalous features near 140 K, accompanied by peak broadening—indicating structural change. AC phase-angle features suggest changes in the dielectric constants at 260 K and 140 K, indicating polaronic transport. The derivative heat capacity below 130 K, likely associated with ordering of the disproportionated magnetic sublattices. Photoluminescence spectra reveal marked intensity quenching below 150 K, possibly-due to the suppression of Cr3+ emission. These results cumulatively suggest a cooperative charge ordering or disproportionation below 140 K.
This brief prospective article discusses current challenges and open research directions for modeling kinetics of pressure-driven solid–solid phase transformations in metals and alloys. The article motivates why this is an outstanding problem within the community, along with providing a brief summary of the current state-of-the-art in modeling phase transformation kinetics. We discuss several challenges, including how to accurately bridge scales and account for defect populations and microstructure. The article summarizes current opportunities for modeling advances that can be pursued by the scientific community.
Uranium (VI) contamination in water poses severe environmental and health risks, necessitating high-performance adsorbents for its removal. In this work, a hollow Fe3O4–ZIF8 composite was fabricated via a bio-templating freeze–thaw process using algal biomass, yielding a hierarchically porous structure with magnetic separability. Comprehensive characterization (BET, XRD, FTIR, XPS, VSM, TGA) confirmed the material’s high surface area, crystalline framework, functional groups, and thermal stability. The adsorbent exhibited an exceptional U(VI) uptake (maximum adsorption capacity Qₘ = 581.4 mg/g) with rapid pseudo-second-order kinetics and strong selectivity for U(VI) over competing ions. Thermodynamic analysis (negative ΔG, positive ΔH) indicated a spontaneous, endothermic adsorption process, and the composite maintained high performance over multiple regeneration cycles with minimal capacity loss. These results demonstrate a promising approach for efficient U(VI) decontamination in aqueous systems.
As an important packaging material, linear low-density polyethylene (LLDPE) faces a key industrial bottleneck: producing clear, high-contrast permanent laser markings on its surface. Existing studies adopt laser-sensitive fillers including carbon black, carbon nanotubes and metal oxides like Bi2O3 and ZnO to improve polymer laser sensitivity, yet these substances bring dust risks and biological toxicity. Herein, non-toxic titanium dioxide (TiO2) is used as laser-sensitive additive. Uniformly dispersed TiO2 converts laser energy into heat through photothermal effect, inducing localized LLDPE carbonization to form adjustable high-contrast black marks. Optimal marking parameters (12 W, 1000 mm/s, 0.5 wt
This work advances Sustainable Development Goals by developing energy-efficient multifunctional photonic and magneto–optical materials for integrated device applications. Bis(ethyltriphenylphosphonium) tetrabromidocobaltate(II) (PPBC) single crystals were grown using a slow-cooling solution technique. HRXRD confirmed excellent crystalline perfection with a narrow FWHM of 7.69 arcsec, while single-crystal XRD revealed monoclinic symmetry (space group Cc). Optical studies showed 62
A new bimetallic coordination polymer, poly[μ-ethylenediaminetetraacetato-diaqua-cobalt(II)-sodium(I)] ([CoNa(EDTA)(H2O)2]ₙ), was synthesized and structurally characterized. Single-crystal X-ray diffraction revealed that the compound crystallizes in the monoclinic space group P21, forming a three-dimensional coordination framework in which low-spin Co(III) adopts a slightly distorted octahedral geometry and Na(I) ions propagate the polymeric structure through carboxylate bridges. Spectroscopic analyses, bond valence sum (BVS) calculations, and elemental analysis further confirmed the coordination environment and oxidation state of the cobalt centre. Hirshfeld surface analysis showed that H···O/O···H (59.1
Despite their exceptional theoretical capacity of up to 4200 mAh g−1, the practical implementation of Si-based anodes is hindered by huge volume fluctuations of up to 400
The purposes of this study were to evaluate in vitro photothermal heat generation in polymethylmethacrylate (PMMA) bone cement doped with varying concentrations of reduced graphene oxide (RGO) within a photothermal therapy (PTT) model and assess the tensile properties of RGO-doped PMMA before and after PTT exposure. Forty-eight PMMA tensile specimens were prepared with RGO concentrations of 0, 10, 100, and 200 µg/mL (n = 12/concentration; PTT: n = 6; non-PTT: n = 6). PTT specimens were irradiated using a 1064 nm laser at a fluence of 2.85W/cm2. Heat generated and the time for the non-irradiated surface to reach 70 °C were recorded using thermal imaging. All specimens subsequently underwent tensile testing to determine ultimate tensile strength (UTS) and elastic modulus (E). Increasing RGO concentration resulted in faster and greater heat generation. No significant differences in UTS or E were observed between PTT-exposed and non-PTT-exposed specimens at any concentration (p > 0.05). RGO-doped PMMA achieved therapeutic temperatures without compromising tensile properties.
Surface-enhanced Raman spectroscopy (SERS) is a powerful optical molecular detection technique, yet its broad application is hindered by limited signal reproducibility and challenges in fabricating flexible, scalable substrates. This study presents electrospun polycaprolactone (PCL) nanofibrous films decorated with plasmonic gold nanoparticles (AuNPs), synthesized and deposited simultaneously via a sonochemical method. PCL was characterized by GPC, FTIR, and 1H-NMR. PCL nanofibers’ morphology was confirmed by XRD and SEM. AuNPs were formed on the nanofibrous surfaces by a sonochemical reduction/simultaneous deposition process by varying HAuCl4 concentrations (0.005–0.1 mM), enabling systematic tuning of nanoparticle coverage and aggregation without linkers or post-treatments. SERS analysis was performed using methylene blue (MB) as a typical SERS marker. The Raman enhancement showed a clear dependence on HAuCl4 concentration, with optimal substrates yielding the highest signal intensity. For the best-performing sample, an apparent analytical enhancement factor (AEF) of 23 and a signal-to-noise ratio (SNR) of 329 at 1 mM MB were obtained, corresponding to an estimated micromolar detection limit. These results demonstrate a simple, reproducible route to flexible polymer-based SERS substrates in which nanoparticle morphology and performance can be tuned through precursor concentration, highlighting potential for further optimization toward sensitive SERS sensing.
This work focused on the novel hybrid fluid catalytic cracking (FCC) catalyst with a hierarchical micro-mesoporous structure, where the microporosity of mordenite provides shape-selective catalytic sites, while the mesoporous montmorillonite (MMT) matrix enhances molecular diffusion and accessibility. For this purpose, using a sol–gel method, mordenite was grown directly on MMT layers without the use of surfactants or templates. To improve the stability, selectivity, and pore characteristics of the catalyst, various approaches like hydrothermal treatment have been followed to improve its performance in oil refinery industries. Characterization of the synthesized materials was conducted using various spectroscopy techniques. The catalytic performance of the hybrid catalyst was evaluated through n-hexane cracking, showing a high conversion of 84
In this study, we synthesized ZnONPs using Escherichia coli DH5α and established that the salt precursor concentration critically influenced nanoparticle crystallinity and morphology. XRD and HR-TEM revealed that lower salt concentrations (1–5 mM) produced small, crystallite embedded in amorphous matrix (10–17 nm), whereas higher concentrations (10–80 mM) yielded crystalline, hexagonal wurtzite-type nanoparticles (26–39 nm). FTIR shows presence of amide and carboxyl groups, indicating surface-functionalization via bacterial proteins and carbohydrates. TEM-based localization reveals the spatial origin of nanoparticle formation, enabling inference of probable nucleation sites within/around the bacterial cell. 50 μg/mL concentration of nanoparticles exhibited strong antimicrobial-activity and displayed size-dependent cytotoxicity against human lung carcinoma (A549) cells in-vitro, along with notable antioxidant activity. This work establishes an optimized biological synthesis of ZnONPs enabling controlled particle-size and crystallinity through precursor modulation while obtained antimicrobial, anticancer, and antioxidant activities highlights their biomedical relevance. This strategy advances eco-friendly nanomaterial synthesis and underscores their translational potential for therapeutic and diagnostic applications. Graphical representation of salt-induced synthesis and biomedical relevance of biogenic ZnONPs.
This study investigated the short-term creep response of AISI 316L stainless steel produced by Laser Powder Bed Fusion (LPBF) and annealed at 1050 °C. At test temperatures of 600 and 650 °C, the minimum creep rate’s dependence on stress and temperature was found to be equivalent to that of wrought materials. Compared to as-deposited steel, annealing increased both the minimum creep rate and total strain to rupture. However, the time to rupture for the LPBF material was approximately half that of wrought steel. Fractures were consistently intergranular, caused by premature damage nucleating from pre-existing cavities formed during the additive manufacturing process. The findings conclude that strictly controlling production defects is vital for additive manufacturing to achieve a creep response comparable to traditional wrought materials after annealing.
BiONO3 and BiOX (X = Cl, Br) are prepared by hydrolysis of Bi(NO3)3 and BiX3 (X = Cl, Br) respectively. BiONO3 and BiOX are adsorbents, they can adsorb methyl orange and congo red in water. Compared with BiOX, BiONO3 can cause the spectral shape of cong red to decrease significantly and shift rightwards obviously, and BiONO3 shows the strongest adsorption ability for congo red. BiONO3 and BiOX are photocatalysts, they can catalyze photodegradation reactions of methyl orange and congo red in water, the sequence of photocatalytic activity is BiONO3 < BiOBr < BiOCl. In the photocatalytical degradation system of [100 mg BiONO3 + 100 mL 0.1000 mM methyl orange], methyl orange concentration decreases faster than total organic carbon (TOC); inorganic ions are generated; and the pH value decreases at first and then remains constant. The filtration membrane does not adsorb methyl orange, but can adsorb a small amount of congo red.
Reliable and traceable characterization of battery electrode materials is essential for standards and harmonized measurements in the growing lithium-ion battery sector. We report a coordinated interfacility study of commercial cathode NMC622, performed within the EURAMET projects OpMetBat and HyMetBat to evaluate reproducibility, uncertainty, and cross-method comparability. A single batch was analyzed using synchrotron X-ray diffraction, high-resolution neutron diffraction at two facilities, transition metal K-edge XANES/EXAFS, DFT-based electronic structure and spectral simulations, and electrochemical measurements. Neutron diffraction yields consistent lattice parameters and transition metal occupancies and enables traceable quantification of lithium content. Lithium loss from neutron refinement agrees with electrochemical charge extraction at low delithiation, whereas deviations at higher states of charge indicate parasitic faradaic processes. XANES and EXAFS confirm local coordination and oxidation states, while DFT reproduces spectral features. Operando impedance correlates with structural evolution and supports state-of-charge metrology. Together, these cross-facility results establish a robust metrological workflow for layered oxide cathode materials.
In recent years, additive friction stir deposition (AFSD) has emerged as a promising solid-state additive manufacturing technique, particularly suitable for aluminum alloys. In this study, a 48-layers, 72 mm-high Al–Mg alloy deposit was successfully fabricated using AFSD. It reveals the internal relationship between the microstructure and mechanical properties within the deposit. The deposit exhibits an extremely fine recrystallization microstructure. Dynamic recrystallization occurred, with the average grain sizes at the top, center, and bottom of the deposit being 2.9 μm, 4.8 μm, and 8.0 μm, respectively. Compared to the build direction (BD), the longitudinal direction (LD) exhibited superior tensile properties, with both yield strengths surpassing those of the base material, reaching 225 MPa and 213 MPa, respectively, the strengthening mechanisms were investigated. Dislocation strengthening and grain-boundary strengthening played significant roles in enhancing the strength of the deposited Al–Mg alloy, while solid solution strengthening was identified as the dominant mechanism.
Medical-grade glass is widely used in lab-on-a-chip and biomedical microfluidic devices because of its optical transparency, chemical inertness, and thermal stability; however, precise micro-hole fabrication remains challenging due to crack formation, lateral overcut, and poor penetration in conventional machining. This study proposes a novel dual-assisted electrochemical discharge machining process combining magnetic field-induced magnetohydrodynamic convection with diamond-grit grinding action for controlled subtractive processing of glass. Compared with conventional ECDM, the proposed GA-MA-ECDM reduced the hole entrance diameter by 11.8
