Search Results (2,400)

Parametric changes in the first coordination shell (FCS) of a vitreous metallic Pd_42.5Cu₃₀Ni_7.5P₂₀ alloy are analysed, aiming to confirm the identification of the glass transition temperature (T_g) via processing of XRD patterns utilising radial and pair distribution functions (RDFs and PDFs) and their evolution with temperature. The Wendt–Abraham empirical criterion of glass transition and its modifications are confirmed in line with previous works, which utilised the kink of the temperature dependences of the minima and maxima of both the PDF and the maxima of the structure factor S(q). Massive fluctuations are, however, identified near the T_g of the derivatives of the minima and maxima of the PDF and maxima of S(q), which adds value to understanding the glass transition in the system as a true second-order-like phase transformation in the non-equilibrium system of atoms. Full article

One of the most important challenges the tire industry faces is becoming carbon-neutral and using 100% sustainable materials by 2050. Utilizing materials from renewable sources and recycled substances is a key aspect of achieving this goal. Petroleum-based oils, such as Treated Distillate Aromatic Extract (TDAE), are frequently used in rubber compounds, and a promising strategy to enhance sustainability is to use bio-based plasticizer alternatives. However, research has shown that the replacement of TDAE oil with bio-based oils or resins can significantly alter the glass transition temperature (T_g) of the final compound, influencing the tire properties. In this study, the theory was proposed that using a plasticizer blend, comprising oil and resin, in a rubber compound would result in similar T_g values as the reference compound containing TDAE. To test this, the cycloaliphatic di-ester oil Hexamoll DINCH, which can be made out of bio-based feedstock by the BioMass Balance approach, was selected and blended with the cycloaliphatic hydrocarbon resin Escorez 5300. Various oil-to-resin ratios were investigated, and a linear increase in the T_g of the vulcanizate was obtained when increasing the resin content and decreasing the oil content. Additionally, a 50/50 blend, consisting of 18.75 phr Hexamoll DINCH and 18.75 phr Escorez 5300, resulted in the same T_g of −19 °C as a compound containing 37.5 phr TDAE. Furthermore, this blend resulted in similar curing characteristics and cured Payne effect as the reference with TDAE. Moreover, a similar rolling resistance indicator (tan δ at 60 °C = 0.115), a slight deterioration in wear resistance (ARI = 83%), but an improvement in the stress–strain behavior (M300 = 9.18 ± 0.20 MPa and Ts = 16.3 ± 0.6 MPa) and wet grip indicator (tan δ at 0 °C = 0.427) were observed. The results in this work show the potential of finding a balance between optimal performance and sustainability by using plasticizer blends. Full article

Ozone is a powerful destructive agent in the oxidative process of polymer composites. The destructive ability of ozone depends primarily on its concentration, duration of exposure, the type of polymer, and its matrix structure. In this work, nonwoven PLA/NR fibers with natural rubber contents of 5, 10, and 15 wt.% were obtained, which were then subjected to ozone oxidation for 800 min. The effect of ozone treatment was estimated using various methods of physicochemical analysis. The visual effect was manifested in the form of a change in the color of PLA/NR fibers. The method of differential scanning calorimetry revealed a change in the thermophysical characteristics. The glass transition and cold crystallization temperatures of polylactide shifted toward lower temperatures, and the degree of crystallinity increased. It was found that in PLA/NR fiber samples, the degradation process predominates over the crosslinking process, as an increase in the melt flow rate by 1.5–1.6 times and a decrease in the correlation time determined by the electron paramagnetic resonance method were observed. The IR Fourier method recorded a change in the chemical structure during ozone oxidation. The intensity of the ether bond bands changed, and new bands appeared at 1640 and 1537 cm⁻¹, which corresponded to the formation of –C=C– bonds. Full article

The utilization of machine learning (ML) has brought more opportunities for the discovery of high-performance materials with specific properties to replace traditional engineering materials. The glass transition temperature (T_g) is a crucial characteristic of polyimide (PI). But small datasets can only partially reveal structural information and decrease the ability of the models to learn from the observed data. In this investigation, a dataset comprising 1261 PIs was assembled. A quantitative structure–property relationship targeting T_g was constructed using nine regression algorithms, with the Categorical Boosting demonstrating the highest accuracy, achieving a coefficient of determination of 0.895 for the test set. SHapley Additive exPlanations analysis identified the NumRotatableBonds descriptor had a significantly negative impact on T_g. Finally, all-atom molecular dynamics (MD) simulations calculated eight PI structures to verify the accuracy of the prediction model. The ML prediction was consistent with the MD simulation, with the lowest prediction deviation of approximately 6.75%, but the time and resource consumption were tremendously reduced. These findings emphasize the significance of utilizing extensive datasets for model training. This available and interpretable ML framework provides impressive acceleration over the MD simulation and serves as a reference for the structural design of PI with the desired T_g in the future. Full article

Bio-based polyurethane asphalt binder (PUAB) derived from castor oil (CO) is environmentally friendly and exhibits extended allowable construction time. However, CO imparts inherently poor mechanical performance to bio-based PUAB. To address this limitation, attapulgite (ATT) with fibrous nanostructures was incorporated. The effects of ATT on bio-based PUAB were systematically investigated, including cure kinetics, rotational viscosity (RV) evolution, phase-separation microstructures, dynamic mechanical properties, thermal stability, and mechanical performance. Experimental characterization employed Fourier transform infrared spectroscopy, Brookfield viscometry, laser scanning confocal microscopy, dynamic mechanical analysis, thermogravimetry, and tensile testing. ATT incorporation accelerated the polyaddition reaction conversion between isocyanate groups in polyurethane (PU) and hydroxyl groups in ATT. Paradoxically, it reduced RV during curing, prolonging allowable construction time proportionally with clay content. Additionally, ATT’s compatibilizing effect decreased bitumen particle size in PUAB, with scaling proportionally with clay loading. While enhancing thermal stability, ATT lowered the glass transition temperature and damping properties. Crucially, 1 wt% ATT increased tensile strength by 71% and toughness by 62%, while maintaining high elongation at break (>400%). The cost-effectiveness and significant reinforcement capability of ATT make it a promising candidate for producing high-performance bio-based PUAB composites. Full article

This work systematically altered the molar ratio of CaO and MgO (R = [CaO]/[(CaO + MgO)], mol%) to elucidate the underlying mechanisms driving the observed changes in macroscopic properties. The results indicated that as CaO increasingly replaced MgO, the rise in the content of non-bridging oxygen led to the depolymerization of the glass structure. A quantitative analysis of Qⁿ units in the [SiO₄] tetrahedron using ²⁹Si MAS NMR revealed that a non-monotonic variation appeared when the Q⁴ unit reached a minimum at R = 0.7. Meanwhile, the chemical environment of aluminum also varies with the R, and the presence of high-coordinated aluminum species is observed when Ca²⁺ and Mg²⁺ ions coexist. In terms of overall performance, both density and molar volume exhibited a linear trend. However, thermal stability, viscosity, characteristic temperatures (including melting temperature, Littleton softening temperature, working point temperature, and glass transition temperature), and mechanical properties showed deviations from linearity. Additionally, four non-isothermal thermodynamics was employed to quantitatively assess the thermal stability of samples C-0.7 and C-1. The insights gained from this study will aid in the development of advanced glass materials with tailored properties for industrial applications. Full article

In order to increase the toughness of poly(hexamethylene furandicarboxylate) (PHF) without severely compromising its strength at break, novel biobased poly(hexamethylene furandicarboxylate-co-hexamethylene thiophenedicarboxylate) (PHFTh) copolyesters and their parent homopolyesters, PHF and poly(hexamethylene thiophenedicarboxylate), were successfully synthesized through melt polycondensation in this research. Despite the variation in their compositions, all the PHFTh copolyesters exhibited excellent thermal stability. The PHFTh copolyesters were semicrystalline in nature, showing the lowest eutectic melting points and isodimorphism behaviors over the whole composition range. As the hexamethylene thiophenedicarboxylate (HTh) unit content increased, the glass transition temperature of the copolyesters gradually decreased, while the chain mobility was accordingly enhanced. Therefore, the introduction of the HTh unit significantly increased the elongation at break of the PHFTh, achieving a balance between strength and toughness. The biobased PHFTh copolyesters showed tunable thermal behaviors and excellent mechanical properties and may find potential end uses from a practical application viewpoint. Full article

Jackfruit seeds (Artocarpus heterophyllus Lam.) are a viable option for supporting a sustainable protein supply. The objective was to obtain protein powder from jackfruit seeds protein concentrate (JSPC) by spray drying. A central composite design was used; the independent variables were inlet temperature (110, 115, and 120 °C) and the solids of the JSPC solution (5, 7.5, and 10%). With the desirability function, the optimal drying parameters to maximize the process yield and achieve a low moisture content were 7.5% solids in the JSPC solution and an inlet temperature of 115 °C, resulting in a process yield of 71.51 ± 1.21%. Moisture (5.33 ± 0.11%), water activity (0.15 ± 0.02), bulk density (0.40 ± 0.01 g/mL), and color (L*: 70.56 ± 0.38, a*: 7.80 ± 0.11 and b*: 15.18 ± 0.15) were measured; these parameters are within the allowed ranges for stable food powders. Hydrosolubility (82.46 ± 1.68%), foaming capacity (48.33 ± 1.66%), and emulsifying activity (105.74 ± 10.20 m²/g) were evaluated. Glass transition temperature (129.49 °C) of the JSPC powder enables the establishment of optimal storage and processing conditions for the protein. JSPC powder could be applied to the elaboration of food products with nutritional and functional value. Full article

A review of the literature on polymorphic transformations by milling on pharmaceutical materials was carried out. The available information on 18 pharmaceutical materials was compiled. In particular, when data are available, the starting and final crystalline forms, their enantiotropic or monotropic relationship, the glass transition temperature of the compound and its melting temperature, the experimental observation of a transient or partial amorphization of compounds, and the transformation kinetics make it possible to suggest a two-step transformation mechanism. First, an amorphization occurs under milling of the starting polymorphic form. Secondly, a recrystallization of the amorphous form occurs towards the final form. The observed transformation kinetics are due to the fact that the recrystallization of the amorphous material towards the final form depends on the accidental formation of a cluster of this form during milling. Moreover, the observation of the transient amorphous form depends on the relative position of the glass transition temperature of the material with respect to the milling temperature. This mechanism seems to be independent of the enantiotropic or monotropic character of the polymorphic forms involved in the transformation. Full article

Date seeds, a by-product of the pitted-date industry, are often discarded as waste. This study investigated the interaction between date seed powder and starch at different concentrations (0, 1, 5, 10, and 20 g/25 g composite) and temperatures (40 °C and 70 °C). The results revealed that the hygroscopicity of date seed powder (9.94 g/100 g) was lower than starch (13.39 g/100 g), and its water absorption (75.8%) was also lower than starch (88.3%), leading to a reduced absorbance capacity in composites. However, the solubility increased with a higher date seed content due to its greater solubility (17.8 g/L) compared to starch (1.6 g/L). A morphological analysis showed rough, agglomerated particles in date seed powder, while starch had smooth, spherical shapes. This study also found that the composites formed larger particles at 40 °C and porous structures at 70 °C. Crystallinity decreased from 41.6% to 12.8% (40 °C) and from 24.0% to 11.3% (70 °C). A thermal analysis revealed three endothermic peaks (glass transitions and solid melting), with an additional oil-melting peak in high-seed samples. FTIR spectra showed changes in peak intensities and locations upon seed incorporation. Overall, these findings revealed that, the incorporation of date seed powder–starch composites into bakery formulations offers a promising strategy for developing fiber-enriched products, positioning them as functional ingredients with added nutritional value. Full article

New bulk chalcogenides from the system (GeTe₆)_1−xCu_x, where x = 5, 10, 15 and 20 mol%, have been synthesized. The structure and composition of the materials were studied using X-ray powder diffraction (XRD) and energy-dispersive spectroscopy (EDS). Scanning electron microscopy (SEM) was applied to analyze the surface morphology of the samples. Some thermal characteristics such as the glass transition, crystallization and melting temperature and some physico-chemical properties such as the density, compactness and molar and free volumes were also determined. The XRD patterns show sharp diffraction peaks, indicating that the synthesized new bulk materials are crystalline. The following four crystal phases were determined: Te, Cu, CuTe and Cu₂GeTe₃. The results from the EDS confirmed the presence of Ge, Te and Cu in the bulk samples in concentrations in good correspondence with those theoretically determined. A layered thin-film material based on Ge₁₄Te₈₁Cu₅, which exhibits lower network compactness compared to the other synthesized new chalcogenides, and the azo polymer PAZO was fabricated, and the kinetics of the photoinduced birefringence at 444 nm was measured. The results indicated an increase in the maximal induced birefringence for the layered structure in comparison to the non-doped azo polymer film. Full article

Addressing the urgent need for lightweight and reusable energy-absorbing materials in aviation impact resistance, this study introduces an innovative multi-directional braided metamaterial design enabled by 4D printing technology. This approach overcomes the dual challenges of intricate manufacturing processes and the limited functionality inherent to traditional textile preforms. Six distinct braided structural units (types 1–6) were devised based on periodic trigonometric functions (Y = A sin(12πX)), and integrated with shape memory polylactic acid (SMP-PLA), thereby achieving a synergistic combination of topological architecture and adaptive response characteristics. Compression tests reveal that reducing strip density to 50–25% (as in types 1–3) markedly enhances energy absorption performance, achieving a maximum specific energy absorption of 3.3 J/g. Three-point bending tests further demonstrate that the yarn amplitude parameter A is inversely correlated with load-bearing capacity; for instance, the type 1 structure (A = 3) withstands a maximum load stress of 8 MPa, representing a 100% increase compared to the type 2 structure (A = 4.5). A multi-branch viscoelastic constitutive model elucidates the temperature-dependent stress relaxation behavior during the glass–rubber phase transition and clarifies the relaxation time conversion mechanism governed by the Williams–Landel–Ferry (WLF) and Arrhenius equations. Experimental results further confirm the shape memory effect, with the type 3 structure fully recovering its original shape within 3 s under thermal stimulation at 80 °C, thus addressing the non-reusability issue of conventional energy-absorbing structures. This work establishes a new paradigm for the design of impact-resistant aviation components, particularly in the context of anti-collision structures and reusable energy absorption systems for eVTOL aircraft. Future research should further investigate the regulation of multi-stimulus response behaviors and microstructural optimization to advance the engineering application of smart textile metamaterials in aviation protection systems. Full article

Natural-fiber-reinforced polypropylene (PP) composites are gaining increasing interest as lightweight, sustainable alternatives for various packaging and applications. This study investigates the effect of filler addition sequence on the mechanical, morphological, thermal, and dynamic mechanical properties of PP-based composites reinforced with graphite nanoplatelets (GnP) and kenaf fiber (KF). Two filler incorporation sequences were evaluated: GnP/KF/PP (GnP initially mixed with KF before PP addition) and GnP/PP/KF (KF added after mixing GnP with PP). The GnP/KF/PP composite exhibited superior mechanical properties, with tensile strength and flexural strength increasing by up to 25% compared to the control, while GnP/PP/KF showed a 13% improvement. SEM analyses revealed that initial mixing of GnP with KF significantly improved filler dispersion and interfacial bonding, enhancing stress transfer within the composite. XRD and DSC analyses showed reduced crystallinity and lower crystallization temperatures in the addition of KF due to restricted polymer chain mobility. Thermal stability assessed by TGA indicated minimal differences between the composites regardless of filler sequence. DMA results demonstrated a significantly higher storage modulus and enhanced elastic response in the addition of KF, alongside a slight decrease in glass transition temperature (T_g). The results emphasize the importance of optimizing filler addition sequences to enhance mechanical performance, confirming the potential of these composites in sustainable packaging and structural automotive applications. Full article

This study employs advanced numerical simulation to investigate the influence of shelf temperature on the freeze-drying kinetics and product quality of Cordyceps militaris. Emphasis is placed on the glass transition and structural collapse mechanisms during the primary drying stage. A detailed computational model was developed to predict temperature profiles, glass transition temperature, collapse temperature, and moisture distribution under varying process conditions. Simulation results indicate that maintaining the shelf temperature below 10 °C minimizes the risk of structural collapse and volume shrinkage while improving drying efficiency and product stability. Based on the model, an optimal freeze-drying protocol is proposed: shelf heating at 0 °C, condenser plate at −32 °C, and chamber pressure at 35 Pa. Experimental validation confirmed the feasibility of this regime, yielding a shrinkage of 9.52%, a color difference (ΔE) of 4.86, water activity of 0.364 ± 0.018, and a rehydration ratio of 55.14 ± 0.789%. Key bioactive compounds, including adenosine and cordycepin, were well preserved. These findings underscore the critical role of simulation in process design and optimization, contributing to the development of efficient and high-quality freeze-dried functional food products. Full article

Long-chain imidazolium-based ionic liquids (ILs) possess a broad-spectrum biological activity and are considered promising antifouling agents for protective coatings. A new hydrophobic IL, 1-dodecyl-3-methylimidazolium dodecylbenzenesulfonate (C₁₂C₁IM-DBS), has been synthesized, and a modified epoxy coating material containing 10, 20, and 30 wt% of this IL was prepared by dissolution of C₁₂C₁IM-DBS in commercial DER 331 epoxy resin, followed by a curing phase with diethylenetriamine. Infrared analysis revealed physicochemical interactions between the hydroxyl groups of the resin and the IL. Spectrophotometric studies showed no release of C₁₂C₁IM-DBS after 30 days of exposure of the modified coatings to water. The plasticizing effect of the IL on the epoxy resin was established by differential scanning calorimetry analysis. The introduction of 10 and 20% C₁₂C₁IM-DBS into DER 331 reduced its glass transition temperature from 122.8 °C to 109.3 and 91.5 °C, respectively. The hardness of epoxy resin decreased by approximately 26% after the introduction of the IL. Moreover, DER 331/C₁₂C₁IM-DBS coatings on steel substrates showed significantly improved impact resistance compared to neat resin. The antibiofilm efficiency of DER 331/C₁₂C₁IM-DBS coatings was evaluated by assessing the capability of two biofilm-forming model strains, Staphylococcus aureus ATCC 25923 and Pseudomonas aeruginosa PA01, to form attached biofilms on the surface. The IL effectively inhibited S. aureus surface-associated biofilm development even at the lowest content of 10%. On the contrary, an approximately 50% inhibition of biofilm metabolic activity was detected for DER 331/C₁₂C₁IM-DBS coatings containing 20% and 30% of the IL. Overall, the results of this study indicate that the hydrophobic IL C₁₂C₁IM-DBS is an efficient modifying additive for epoxy resins, which can significantly improve their operational properties for various industrial applications. Full article