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This investigation explores the plasmonic effect on molecular fluorescence within ternary liquid systems comprising 7-amino-4-(trifluoromethyl) coumarin (C-151) laser dye, ethanol, and benzaldehyde. A key aspect of our investigation involves examining ZrN nanosphere and ZrN nanoshell within these mixtures, marking the first instance of such an analysis in ZrN and ternary liquid compositions. Utilizing experimentally obtained refractive indices, we evaluate resonance peaks in the spectra and their shifts. Our findings reveal improved fluorescence characteristics in C-151 laser dye with the addition of ZrN nanoparticles. Theoretical results suggest that plasmonic nanoparticles play a significant role in enhancing dye fluorescence. These findings deepen our understanding of plasmonics in complex liquid environments and highlight ZrN's potential as an effective alternative plasmonic material for efficient molecular energy transfer at the nanoscale. [ABSTRACT FROM AUTHOR]

Ion hydration plays a crucial role in numerous fundamental processes. Various spectroscopic methods are employed to investigate the slowing down of hydration bond dynamics in the proximity of both anions and cations. To date, most of these studies have primarily focused on the properties of binary systems. However, in comparison to ion–water binary systems, ternary systems that involve ions, water, and organic matter are more prevalent in nature and provide more realistic insights into biological processes. This study focuses on ion hydration in water and alcohol mixture using terahertz spectroscopy and x-ray diffraction (XRD). The results reveal a distinct behavior depending on the type of alcohol used. Specifically, the presence of both methanol and ethanol results in the disappearance of absorption peaks associated with NaCl hydrate at low temperatures. In contrast, tert-butanol does not exhibit such an effect, and isopropanol demonstrates a more complex response. By combining these terahertz spectroscopic findings with low-temperature XRD data, we gain insights into the formation, or lack thereof, of NaCl · 2H2O hydrate crystals. Crucially, our observations suggest a dominant correlation between the polarity of the alcohol molecules and its impact on the Na+ hydration. Strongly polar alcohols preferentially solvating the Na+ ion lead to the failure of hydrate formation, while weakly polar alcohols do not have this effect. [ABSTRACT FROM AUTHOR]

Polymer-based ternary nanocomposites with tunable optical properties are the key components for optoelectronics applications. Here, we demonstrate the linear and nonlinear optical properties of polypyrrole (PPy) and its ternary composites with different concentrations of the MoS2–ZnO core–shell (ZnO@MoS2) heterostructure. The interesting observation of multiple excitons and their transportation through the interface of PPy and ZnO@MoS2 by using photoluminescence and fluorescence lifetime spectroscopy was studied. Furthermore, the third-order nonlinear optical properties of all samples were also measured by employing the z-scan technique at an excitation wavelength of 532 nm. The reverse saturable absorption of pure PPy was switched to saturable absorption after the addition of ZnO@MoS2 at the uniform linear transmittance. These ternary composites with good nonlinear responses provide an option for the development of high-performance nonlinear optical devices and open a new path for the future development of ternary systems in the optical fields. [ABSTRACT FROM AUTHOR]

The effective processing and utilization of lignocellulosic biomass (LCB) are essential for sustainable development. In this work, we present a novel ternary deep eutectic solvent (DES) system comprising glycerol, potassium carbonate (K2CO3), and polyethylene glycol 200 (PEG-200), designed to enhance the deconstruction of LCB through its low viscosity and improved solubility. The system's low viscosity (2.87–26.48 Pa s) ensures excellent fluidity and accessibility, significantly improving mass and heat transfer during reactions. Furthermore, the increased solubility (39.21–54.66% w/w) further boosts lignin dissolution, leading to more efficient separation. Under optimal conditions, the removal rates of hemicellulose and lignin reached 81.93% and 96.37%, respectively, with a cellulose yield of up to 73.65%. Moreover, the cellulose-rich residues resulting from this process exhibit desirable properties such as high crystallinity, excellent thermal stability, and robust processing capabilities, marking them as valuable materials for efficient downstream processing and applications. The development of this ternary DES system represents a greener and more sustainable approach to LCB treatment, offering a transformative solution poised to advance the future of bio-based industries. This innovative system not only improves the efficiency of biomass processing, but also aligns with environmental sustainability goals, supporting the broader adoption of eco-friendly technologies in industrial applications. [ABSTRACT FROM AUTHOR]

X-ray diffraction and dielectric studies were performed on synthesized ceramic samples of the section (1–x) (0.8PbMg 1 ∕ 3 Nb 2 ∕ 3 O 3 ⋅ 0. 2 BiScO3)⋅ x(0.8PbTiO 3 ⋅ 0. 2 BiScO3) with x = 0 –1 of the ternary BiScO3–PbTiO3–PbMg 1 ∕ 3 Nb 2 ∕ 3 O3 (BS–PT–PMN) system, including the temperature dependence of thermally stimulated depolarization currents (TSDC). It was found that the samples are solid solutions with a perovskite structure, which have cubic symmetry in the range of x = 0–0.587 and tetragonal symmetry in the range of x = 0.680–1. In the intermediate composition range of x = 0.587–0.680 (morphotropic region — MR), the samples consist of a mixture of solid solutions of different symmetries. Data on the change in dielectric properties and TSDC(T) dependencies of solid solutions with a change in their composition were obtained. It was found that samples of compositions x =0–0.625 and 0.6875–1 exhibit relaxor-ferroelectric and conventional ferroelectric properties, respectively, while samples of compositions x = 0.625–0.6875 combine ferroelectric and relaxor-ferroelectric properties. [ABSTRACT FROM AUTHOR]

In this work, ε-CL-20 crystals with high sphericity, low sensitivity, and high true density were prepared in binary and ternary solvents using solvent–antisolvent recrystallization. The influence mechanisms of temperature, solvent type and solvent composition on crystal morphology were investigated through molecular dynamics simulations with modified attachment energy model. The results reveal that the crystals obtained in the ethyl acetate + chlorobenzene system at 313.15 K have the highest sphericity of 0.8630. The increase in temperature causes the crystals to become sharper. The crystals in ternary solvents retain morphological characteristics of those in the corresponding binary systems and the sphericities are between the two. In ternary systems, hydrogen bonding interactions are affected by the two antisolvents together, and van der Waals and electrostatic interactions can be influenced either by the combined effects of two antisolvents or predominantly by a single antisolvent. It is feasible to adjust interactions by changing growth environments. The temperature, solvent type and solvent composition can affect the diffusion behaviors of solvent molecules and the antisolvent molecules do not affect their mutual diffusion behaviors. This work provides valuable information for the design and optimization of the preparation process of spherical ε-CL-20 crystals. [ABSTRACT FROM AUTHOR]

TiB 2 -TiC composite ceramics with tunable compositions (70 wt% < TiB 2 < 100 wt%) were fabricated by the reactive spark plasma sintering (SPS) technique using Ti, B 4 C, and TiB 2 as raw materials. The effects of sintering temperature and holding time on the densification, electrical, and mechanical properties of composite ceramics were investigated. Additionally, the competitive reaction behavior of the Ti-B 4 C-TiB 2 ternary system and the formation mechanism of TiB 2 -TiC composite ceramics were systematically highlighted, respectively. The TiB 2 -TiC composite ceramics successfully obtained 98.9 % relative density, 8.0 ± 0.3 μΩ∙cm electrical resistivity, and 6.8 ± 0.2 MPa∙m1/2 fracture toughness at the sintering temperature of 1800 °C, pressure of 35 MPa, and holding time of 5 min. As the sintering temperature was increased in the Ti-B 4 C-TiB 2 ternary system, competitive reactions occurred not only between Ti and B 4 C as well as between Ti and TiB 2 reactants, but also between B 4 C and in-situ generated TiC, accompanied by the formation of TiB and free carbon in the system. The enhancement of fracture toughness could be attributed to the generation of TiB. Meanwhile, the establishment of a conductive network, which was promoted by the presence of free carbon, resulting in significant reduction in electrical resistivity. However, as a consequence of the deformation and dissociation of the free carbon, a reduction in the load-bearing cross-section resulted in a corresponding reduction in the flexural strength of the composite ceramic. [ABSTRACT FROM AUTHOR]

Curcumin, a compound known for its antioxidant and neuroprotective properties, faces challenges due to its low water solubility, which can limit its effectiveness. One effective method to address this issue is through amorphization. Incorporating curcumin into a polymeric matrix to form amorphous solid dispersions is a common approach. Another strategy involves co-amorphous systems, where low-molecular-weight components act as co-formers. A recent innovative approach combines these strategies. This study used tryptophan as a co-former and prepared systems using supercritical fluid technology. The amorphous nature of two systems was confirmed through X-ray powder diffraction: one with 10% curcumin and a polymer, and another with 10% curcumin, a polymer, and tryptophan. Fourier-transform infrared analysis demonstrated molecular interactions among all components in the systems. Scanning electron microscopy revealed that the amorphization process significantly modified the morphology of the powder particles. The ternary system with tryptophan notably increased curcumin solubility by over 300-fold. The amorphous form of curcumin in both systems exhibited significantly higher dissolution rates compared to its crystalline form. The system with tryptophan showed more than a threefold improvement in permeability according to the PAMPA test. The enhanced solubility led to over a sixfold increase in antioxidant activity and a 25-fold improvement in the inhibition of the enzyme butyrylcholinesterase. [ABSTRACT FROM AUTHOR]

Spin crossover (SCO) iron (II) coordination compounds in the form of nanohybrid SCO@SiO2 particles were prepared using a reverse micelles technique based on the TritonX-100/cyclohexane/water ternary system. Tetraethyl orthosilicate (TEOS) acts as precursor of both the SiF62− counter-anion and SiO2 to obtain Fe(NH2trz)3(BF4)2−x(SiF6)x/2@SiO2 nanoparticles with different sizes and morphologies while modifying the TEOS concentration and reaction time. The adjustable mixed-anion strategy leads to a range of quite scarce abrupt spin crossover behaviors with hysteresis just above room temperature (ca. 293 K), which is very promising for the integration of these materials into functional devices. [ABSTRACT FROM AUTHOR]

Excess B 4 C was incorporated into reactively sintered high-entropy boride ceramics to develop a (Hf 0.2 Zr 0.2 Ta 0.2 Nb 0.2 Ti 0.2)B 2 -SiC-B 4 C ternary phase system. The results showed the addition of B 4 C effectively removed oxide impurities and enhanced densification during the sintering process. Despite the slight decrease in fracture toughness, (Hf 0.2 Zr 0.2 Ta 0.2 Nb 0.2 Ti 0.2)B 2 -SiC-B 4 C exhibited significantly higher hardness, in comparison with (Hf 0.2 Zr 0.2 Ta 0.2 Nb 0.2 Ti 0.2)B 2 -SiC. In addition, the ternary phase ceramics prepared in this study demonstrated superior hardness and fracture toughness compared to those typically reported of monolithic (Hf 0.2 Zr 0.2 Ta 0.2 Nb 0.2 Ti 0.2)B 2 ceramics. [ABSTRACT FROM AUTHOR]

The ternary strategy offers a promising route to enhance the power conversion efficiencies (PCEs) of organic solar cells (OSCs). In this contribution, we focus on the state-of-the-art binary system PM6:L8-BO and reveal how the n-type polymer guest (PYIT) in the PM6:L8-BO:PYIT ternary system enhances carrier dynamics, thereby improving both efficiency and scalability for large-area printable OSC modules. These benefits are primarily attributed to two key factors: (i) the excellent miscibility of the PYIT guest with the host materials, coupled with the chain-dominant structure and high crystallinity nature of the PYIT polymer, which creates additional pathways for carrier transport and charge transfer; (ii) the incorporation of PYIT, which limits the excessive aggregation of L8-BO, improves molecular packing, and reduces film defects, thereby enhancing exciton dynamics. These optimizations lead to an increase in PCEs from 17.58% in the binary system to 18.59% in the ternary OSC, with improvements across all photovoltaic parameters. More importantly, the PM6:L8-BO:PYIT ternary system exhibits excellent compatibility with large-area printing processes, as demonstrated by a doctor blading OSC module achieving 15.57% PCE over an area of 11.7 cm2. This work highlights the potential of the ternary methodology in tuning the physical properties of OSCs while enhancing both performance and scalability. [ABSTRACT FROM AUTHOR]

Background/Objectives: This study investigates the preparation of coamorphous systems composed entirely of active pharmaceutical ingredients (APIs), namely praziquantel, niclosamide, and mebendazole. The objective was to formulate and characterize binary and ternary coamorphous systems to evaluate their structural, thermal, and stability properties. Methods: Ten different mixtures (binary and ternary) were designed through a mixture design approach and prepared using a sustainable, one-step neat grinding process in a lab-scale vibrational mill. The systems were prepared reproducibly within 4 h across the entire experimental domain. Structural characterization was performed using PXRD and FTIR to confirm the absence of crystalline domains and the presence of molecular interactions. The glass transition temperature (Tg) was theoretically calculated using the Gordon–Taylor equation for three-component systems and determined experimentally via DSC. Stability studies were conducted on seven systems under different storage conditions (−30 °C, 5 °C, 25 °C, and 40 °C) for six months. Results: PXRD analysis confirmed the formation of coamorphous systems with no crystalline phases. DSC revealed a single Tg for most systems, indicating homogeneity. Stability studies demonstrated that five out of seven systems adhered to the "Tg—50 °C" stability rule, remaining physically stable over six months. Recrystallization studies indicated diverse pathways: some systems reverted to their original crystalline phases, while others formed new entities such as cocrystals. Conclusions: This study highlights the feasibility of coamorphous systems composed of multiple APIs using a simple, solvent-free grinding approach. The findings underscore the importance of molecular interactions in determining stability and recrystallization behavior, offering insights for designing robust coamorphous formulations. [ABSTRACT FROM AUTHOR]

The vapor–liquid equilibrium (VLE) data of the ternary system methanol–methyl formate–methylal was measured at atmospheric pressure using a modified Rose equilibrium kettle with vapor–liquid double circulation method. The experiment data were correlated with the NRTL, UNIQUAC, and Wilson activity coefficient model equations. The results shown that the root mean square deviation (RMSD) between the calculated and simulated values of the three models followed the order: UNIQUAC ≈ NRTL < Wilson, and except for the RMSD (T) in the range of 0.4–0.5, the others are less than 0.01. In addition, the NRTL model was selected to link with Aspen Plus software to simulate the separation process of polyformaldehyde (POM) waste liquid. The simulation results show that the methyl formate in POM waste stream can be purified by simple distillation, while the methylal separated from the POM waste liquid, which was affected by factors like the azeotropic behavior of binary components, necessitates a complex distillation process. Under optimal operating conditions, the recovery yield of methyl formate through direct distillation can reach 99.7%, with an economic benefit of 6960.1 CNY per ton of waste liquid. Although the economic benefit of the multi-component distillation reach 7281.2 CNY, the increase in the number of equipment and the complexity of the process have negative impacts. [ABSTRACT FROM AUTHOR]

The widespread application of photocatalysis for converting solar energy and seawater into hydrogen is generally hindered by limited catalyst activity and the lack of sustainable large‐scale platforms. Here, a multi‐scale hierarchical organic photocatalytic platform was developed, combining a photosensitive molecular heterojunction with a molecular‐scale gradient energy level alignment and micro‐nanoscale hierarchical pore structures. The ternary system facilitates efficient charge transfer and enhances photocatalytic activity compared to conventional donor‐acceptor pairs. Meanwhile, the super‐wetted hierarchical interfaces of the platform endow it with the ability to repeatedly capture light and self‐suspend below the water surface, which simultaneously improves the light utilization efficiency, and reduces the adverse effects of salt deposition. Under a Xe lamp illumination, the hydrogen evolution rate of this organic platform utilizing a sacrificial agent can reach 165.8 mmol h−1 m−2, exceeding that of mostly inorganic systems as reported. And upon constructing a scalable system, the platform produced 80.6 ml m−2 of hydrogen from seawater within five hours at noon. More importantly, the outcomes suggest an innovative multi‐scale approach that bridges disciplines, advancing the frontier of sustainable seawater hydrogen production driven by solar energy. [ABSTRACT FROM AUTHOR]

The nanomaterials-filled thermoset/thermoplastic ternary nanocomposites exhibit important potential to achieve both toughening and stiffening effect for thermosetting resin. However, the targeted growth in fracture toughness and the synergistic toughening mechanism of thermoplastic resin and nanomaterials has not been attained due to the complex immiscible ternary system. In this work, thermoplastic resin polyetherketone-cardo (PEK-C) and carbon nanotubes (CNTs) were synergistically incorporated in thermosetting epoxy (EP) resin. The structure-property correlation was explored via the investigation of mechanical performance and microstructure. The results showed that the change of fracture toughness was not linearly related to the PEK-C content, while closely related to the dualphase structure formed by EP and PEK-C. After introducing CNTs, the CNTs were selectively located in the continuous phase of EP, which increased the viscosity of the located region and hindered the coarsening and interconnecting of the dispersed phase of PEK-C, weakening the toughening effect of dualphase structure. [ABSTRACT FROM AUTHOR]

Benzene separation from hydrocarbon mixtures is a challenge in the refining and petrochemical industries. The application of liquid–liquid extraction process using ionic liquids (I.Ls) is an option for this separation. The selection of the most appropriate I.L. for this application is a challenging task due to the variety of anion and cation structures. In the current study, the benzene distribution between the aliphatic hydrocarbon-rich and I.L.-rich phases has been evaluated using the Quantitative Structure–Property Relationship (QSPR) method. A dataset comprising of 112 ternary systems (namely, I.L., benzene, and aliphatic hydrocarbon) was compiled after an extensive review of literature. The primary dataset consists of 17 anions, 20 cations, and 12 aliphatic hydrocarbons. Therefore, the impact of the structure of anion, cation, or aliphatic hydrocarbon on the benzene distribution between the aliphatic hydrocarbon-rich and I.L.-rich phases has been investigated. The linear QSPR models were constructed using Multiple Linear Regression (MLR). The statistical evaluation of the final linear model showed that the constructed model (R2 = 0.900) has an acceptable capability to predict the mole fraction of benzene in the I.L.-rich phase. Additionally, non-linear QSPR models were developed using Genetic Programming (GP) and Artificial Neural Network (ANN) machine learning methods. The statistical evaluation of the GP model (R2 = 0.927) and ANN model (R2 = 0.939) showed that non-linear models had slightly higher prediction accuracy compared to the linear model. The final QSPR model was developed using the BELe3 cation descriptor which is a 2D Burden eigenvalues descriptor and HTm anion descriptor which is a 3D GETAWAY descriptor. After model construction, the selected molecular descriptors of anion and cation structures has been interpreted. The results showed that the size and the electronegativity of the atoms in the anion and cation structure are probably important parameters that affect the benzene distribution between the aliphatic hydrocarbon-rich and I.L.-rich phases. Additionally, the anion shape can be considered as an effective parameter in the benzene extraction process. [ABSTRACT FROM AUTHOR]

This study establishes the subsolidus phase relations in the Bi₂O₃–Mn₂O₃–M₂O₃ (M = Fe, Al, and Ga) systems at 770°C in an oxidizing air environment, with a specific focus on identifying of phase stability and extension of solid solubility of new solid solutions. The pseudoternary nature of these systems is influenced by the presence of both Mn3⁺ and Mn⁴⁺ oxidation states in mullite Bi2Mn4O10‐based phases and Mn4+ in sillenite Bi12MnO20‐based phases. Our findings reveal that the addition of M₂O₃ (where M = Fe, Al, and Ga) in small amounts (up to 1.5 mol%) to Bi₂O₃ promotes the formation of the γ‐Bi₂O₃ phase. However, with increased M₂O₃ addition (up to 7 mol%), isomorphous sillenite compounds Bi₂₅MO₃₉ are formed. These findings clearly show differences between the two phases, γ‐Bi2O3 and sillenite Bi₂₅MO₃₉ which have been largely incorrectly defined in the past. In contrast, in the binary system Bi2O3–Mn2O3 the γ‐Bi2O3 was not identified. The sillenite compounds Bi12MnO20 and Bi25MO39 exhibit solid solubility in all three systems M = Fe, Al, and Ga over the entire composition range. Additionally, the perovskite phase BiFeO₃ exhibits an extended solid solubility, incorporating up to 32 at% of Mn as a substitution for Fe however the perovskite‐type BiGaO3 and BiAlO3 were not confirmed in the investigated systems. In the investigated systems, the mullite‐type Bi2Mn4O10 and Bi2M4O9 (M = Fe, Al, and Ga) form solid solutions with various compositional extensions, which depends on the difference of ionic size of M atoms (Fe, Al, and Ga) in comparison of Mn size. Based on experimental results, the three phase diagrams of the Bi₂O₃–Mn₂O₃–M₂O₃ (M = Fe, Al, and Ga) systems were constructed. [ABSTRACT FROM AUTHOR]

In order to realize high‐performance bulk‐heterojunction (BHJ) all‐polymer solar cells, achieving appropriate aggregation and moderate miscibility of the polymer blends is one critical factor. Herein, this study designs and synthesizes two new polymer acceptors (PAs), namely PYF and PYF‐Cl, containing benzo[1,2‐b:4,5‐b′] difuran (BDF) moiety with/without chlorine atoms on the thiophene side groups. Thanks to the preferred planar structure and high electronegativity of the BDF units, the resultant PAs generate strong intermolecular interactions and π‐π stacking in both the neat and blend films. At the same time, the BDF moieties flanked with bulky 2D side groups increase intermolecular space and restrain the excessive entanglement of polymer chains for developed heterojunction miscibility attributes. Consequently, appropriate polymer crystallinity and moderate miscibility between PAs and polymer donor (PD) contribute to harmonious blending morphologies. Eventually, the PM6:PYF‐based solar cells achieve an optimal efficiency of 11.82%. More encouragingly, the PYF serves as an efficient guest acceptor and realizes an improved efficiency of 17.05% in the PM6:PYIT:PYF ternary systems, which is much higher than that of the host system (15.87%). This study highlights the importance of BDF moiety in designing new PAs for high‐performance all‐polymer solar cells. [ABSTRACT FROM AUTHOR]

A novel carbon xerogel/ZnO/BaSnO 3 photocatalyst was developed, characterized, and evaluated for the photodegradation of salicylic acid (SA) under solar and visible radiation. The development of the proposed photocatalyst involved the investigation of multiple synthesis parameters, aiming to optimize the photocatalytic activity of the ternary system. The best photocatalytic efficiency was obtained at 5 % w/w BaSnO 3 , 0.375 g of added tannin, and calcination temperature of 600 °C, yielding the 0.375CX/ZnO/BaSnO 3 5 % 600 °C photocatalyst. After thorough characterization, it was concluded that the ternary materials are composed of a mixture of crystalline ZnO and BaSnO 3 structures and carbon xerogel (CX). Additionally, the ternary materials displayed significant capacity to absorb visible radiation, mostly due to CX addition. Morphology-wise, the 0.375CX/ZnO/BaSnO 3 5 % 600 °C was composed of nodular and polyhedral nanometric particles, displaying higher surface area when compared to materials without CX. Through chronoamperometry and electrochemical impedance spectroscopy, it was determined that the optimized ternary material achieved the highest photocurrent generation and lowest charge transfer resistance among the materials evaluated, indicating a superior photocatalytic activity. Photocatalytic tests demonstrated the superiority of the ternary system in the degradation of SA under solar and visible light irradiation, achieving 93 % and 52.3 % degradation after 5 h, respectively. The superior mineralization of SA (72.2 %) achieved by the optimized ternary material under solar radiation further demonstrated its increased efficacy. The suppression methodology allowed for the identification of the hydroxyl radical as the major active species in the SA degradation. A Z-type heterojunction was proposed for the ternary system, based on the staggered band alignment between ZnO and BaSnO 3 and the role of CX as a solid-state mediator, possibly leading to effective charge separation and enhanced redox activity. Phytotoxicity tests showed favorable Lactuca sativa growth in SA solutions treated with 0.375CX/ZnO/BaSnO 3 5 % 600 °C (especially under solar radiation), indicating reduced toxicity. [Display omitted] [ABSTRACT FROM AUTHOR]

Large macroscopic assemblies formed by a surfactant, sodium dodecylsulfate (SDS), and glycerol, can be directed to assemble in a hierarchical manner by the addition of a strong hydrogen-bond donor/acceptor, such as urea. Self-assembly in complex media is important to a range of applications, for instance in biological media, which are multi-component, to industrial formulations, where additives are present for flavour, texture, and preservation. Here, the gelation and self-assembly of sodium dodecylsulfate (SDS) in glycerol is explored in the presence of an additive, urea. Urea was chosen due to its importance both fundamentally and industrially, but also because of its ability to form strong H-bonds and interact with both glycerol and SDS. To cover the variety of length scales present in the gel-like phase, a combination of optical microscopy and small-angle X-ray scattering techniques were used to probe the micro- to nanoscale. On the microscale, the formation of a spectacular spherulite phase, even at low urea contents - 0.1 wt%, upon cooling was observed, a stark difference to the microfibrillar phase observed in the absence of urea. Interestingly, the nanostructure of the two crystalline phases were similar and showed negligible differences. This suggests that urea is not involved in the SDS/glycerol microfibril formation but instead directs the assembly of spherulites by bundling the microfibrils. These ternary systems are also probed as a function of urea content, SDS concentration, and temperature. The observations in this work highlight the importance of small molecules in the self-assembly process, which is relevant both fundamentally but also industrially, where small molecules are often added to formulations. [ABSTRACT FROM AUTHOR]

The characteristic manifestations of instability were observed in the form of voltage pulsations measured between electrodes immersed directly in solutions of membrane system chambers, in different configurations of membrane systems. The reason for this type of voltage pulsations is Rayleigh-Benard type instabilities of near-membrane layers caused by density gradients of solutions in these layers. The time of build-up of the concentration boundary layer, after which hydrodynamic instability appears is one of important parameters of these phenomena. The concentration characteristics of these times, measured for one- and two-membrane systems, are nonlinear. With increasing differences in the density of solutions on the membrane at the initial moment, the times of build-up of concentration boundary layers were reduced. In two-membrane systems containing ternary solutions (water, NaCl, ethanol), ethanol was used to control the initial differences in the density of solutions on the membrane. The times of hydrodynamic instabilities in two-membrane system were symmetrical due to the concentration of ethanol, for which the densities of solutions on both sides of the membrane were the same at the initial moment. This dependence is similar for both configurations of the membrane system and is characterized by two nonlinear curves converging to the concentration of ethanol at which, at the initial moment, the densities of the solutions in the chambers of the two-membrane system are the same. In turn, the steady-state voltages of the two-membrane system as a function of the initial concentration of ethanol in the middle chamber with the same initial NaCl concentration in the middle chamber, are a complex function depending on the membrane arrangement. These voltages are characterized by a transition in the ethanol concentration range, for which, at the initial moment, the densities of the solutions in the chambers of the two-membrane system are comparable. [ABSTRACT FROM AUTHOR]

Multicomponent oxide systems have many applications in different fields such as optics and medicine. In this work, we developed new hybrid photoresists based on a combination of an organic acrylate resin and an inorganic sol, suitable for 3D printing via two-photon polymerization (2PP). The inorganic sol contained precursors of a binary SiO2-CaO or a ternary SiO2-CaO-P2O5 system. Complex microstructures were 3D printed using these hybrid photoresists and 2PP. The obtained materials were characterized using thermogravimetric analysis (TGA), Fourier transform infrared spectroscopy (FTIR), and scanning electron microscopy (SEM) techniques. Our results revealed that the produced microstructures were able to endure sintering at 700 °C without collapsing, leading to scaffolds with 235 and 355 nm resolution and pore size, respectively. According to the TGA analysis, there was no significant mass loss beyond 600 °C. After sintering at 500 °C, the FTIR spectra showed the disappearance of the characteristic bands associated with the organic phase, and the presence of bands characteristic of the binary and ternary oxide systems and carbonate groups. The SEM images showed different morphologies of agglomerated nanoparticles with mean sizes of about 20 and 60 nm for ternary and binary systems, respectively. Our findings open the way towards precise control of bioglass scaffold fabrication with tremendous design flexibility. [ABSTRACT FROM AUTHOR]

Sodium mondodecyl phosphate (SDP) and isopentenol (IPN), both of premive relevance (SDP and IPN), are selected to construct the protocell model in water. The Vesicles, microtubules and asters phases somehow resembling the morphology and structure of modern cells/organelles were obtained in this single system. The formation of these aggregates is attributed to the intermolecular hydrogen bonding and alkyl chain interdigitated structure. The protocell models not only display remarkable freeze–thaw and wet-dry stabilities by simulating the primordial Earth's diurnal temperature differences and ocean tides but also are able to exhibit cell-like behavior of chemical signaling transition. [Display omitted] Simple single-chain amphiphiles (sodium monododecyl phosphate, SDP) and organic small molecules (isopentenol, IPN), both of primitive relevance, are proved to have been the building blocks of protocells on the early Earth. How do SDP-based membrane and coexisting IPN come together in specific ways to produce more complex chemical entities? What kind of cell-like behavior can be endowed with this protocell model? These are important questions in the pre-life chemical origin scenario that have not been answered to date. The phase behavior and formation mechanism of the aggregates for SDP/IPN/H 2 O ternary system were characterized and studied by different electron microscopy, fluorescent probe technology, DLS, IR, ESI-MS, SAXS, etc. The stability (freeze–thaw and wet-dry treatments) and cell-like behavior (chemical signaling communication) were tested via simulating particular scenarios. Vesicles, microtubules and asters phases resembling the morphology and structure of modern cells/organelles were obtained. The intermolecular hydrogen bonding is the main driving force for the emergence of the aggregates. The protocell models not only display remarkable stabilities by simulating the primordial Earth's diurnal temperature differences and ocean tides but also are able to exhibit cell-like behavior of chemical signaling transition. [ABSTRACT FROM AUTHOR]

The K2O‐Al2O3‐SiO2 system is an important component of microcrystalline glass. The K2O‐Al2O3 and K2O‐SiO2 binary systems and the K2O‐Al2O3‐SiO2 ternary system were thermodynamically evaluated and optimized using the CALculation of PHAse Diagram (CALPHAD) method. The liquid phase is described by using the ionic two‐sublattice model, and the solid solutions involved in the ternary system are all described using the compound energy formalism (CEF) model. The new parameters obtained from the optimization are capable of describing the equilibrium phase relations of the ternary system and its subsystems, and the calculated thermodynamic properties of the ternary compounds are in good agreement with the experimental data. [ABSTRACT FROM AUTHOR]

Glassy materials form the basis of many modern applications, including nuclear waste immobilization, touch‐screen displays, and optical fibers, and also hold great potential for future medical and environmental applications. However, their structural complexity and large composition space make design and optimization challenging for certain applications. Of particular importance for glass processing and design is an estimate of a given composition's glass‐forming ability (GFA). However, there remain many open questions regarding the underlying physical mechanisms of glass formation, especially in oxide glasses. It is apparent that a proxy for GFA would be highly useful in glass processing and design, but identifying such a surrogate property has proven itself to be difficult. While glass stability (GS) parameters have historically been used as a GFA surrogate, recent research has demonstrated that most of these parameters are not accurate predictors of the GFA of oxide glasses. Here, we explore the application of an open‐source pre‐trained neural network model, GlassNet, that can predict the characteristic temperatures necessary to compute GS with reasonable performance and assess the feasibility of using these physics‐informed machine learning (PIML)‐predicted GS parameters to estimate GFA. In doing so, we track the uncertainties at each step of the computation—from the original ML prediction errors to the compounding of errors during GS estimation, and finally to the final estimation of GFA. While GlassNet exhibits reasonable accuracy on all individual properties, we observe a large compounding of error in the combination of these individual predictions for the PIML prediction of GS, finding that random forest models offer similar accuracy to GlassNet. We also break down the performance of GlassNet on different glass families and find that the error in GS prediction is correlated with the error in crystallization peak temperature prediction. Lastly, we utilize this finding to assess the relationship between top‐performing GS parameters and GFA for two ternary glass systems: sodium borosilicate and sodium iron phosphate glasses. We conclude that to obtain true ML predictive capability of GFA, significantly more data needs to be collected. [ABSTRACT FROM AUTHOR]

Thermodynamic analysis of the Fe-B-C ternary system was performed using the CALPAHD approach coupled with first principles calculations, and then based on the evaluated thermodynamic parameters, the amounts of segregated B and C in the grain boundary were calculated. The calculated phase diagrams and thermodynamic properties agreed with the experimental data as well as the results of the first principles calculations, and thus highly accurate parameters for this ternary system were evaluated. In using the obtained thermodynamic parameters, the grain boundary segregation behavior of B and C was analyzed by means of the parallel tangent scheme. The Gibbs free energy of the liquid phase obtained in the present work was adopted for that of the grain boundary phase. According to the model, it was confirmed that the amount of segregated B content in the grain boundary of γ -iron decreased the addition of C. Thus, B and C atoms show tendencies to compete for a finite number of segregation sites. When equilibrium precipitates are formed in a matrix phase, the amount of B segregation further decreases due to a solution of B in the borocarbide phases, such as Fe23(B,C)6, Fe3(B,C) Fe2(B,C), and Fe(B,C) phases. Therefore, irrespective of the presence or absence of precipitates, the effect of hardenability decreases with the presence of C in steel due to the decreasing segregated B content in the grain boundary. [ABSTRACT FROM AUTHOR]

The theoretical assessment of the Al-Cu-Si was carried out in this work based on recent experimental studies (Riani et al. in Intermetallics, 17:154-164, 2009; He et al. in CALPHAD, 33:200-210, 2009. http://dx.doi.org/10.1016/j.calphad.2008.07.015; Ponweiser N and Richter KW in J. of Alloys and Compd, 512:252-263, 2012; Hallstedt et al. in CALPHAD, 53:25-38, 2016; Zobac et al in J Mater Sci, 55:5322-15333, 2020). The reassessment of the Cu-Si system was also carried out in the scope of this work, as experimental data indicates reasonable solubility of Al in all intermetallic phases in the Cu-Si binary system, and the stoichiometric models used in previous assessments of the Cu-Si binary system are not fully suitable for the extension into the ternary system. Excellent agreement was reached for the reassessment of the Cu-Si system with previous works, and new original results were obtained during the assessment of the ternary system. The high solubility of Si in the β(bcc) phase at high temperatures was modelled to explain experimental inconsistencies in the Cu-rich corner between 600 and 800 °C, and this assumption was confirmed experimentally. All main features of the experimental Al-Cu-Si phase diagram were reproduced well by theoretical modelling. [ABSTRACT FROM AUTHOR]

The quantification of the role of alloying elements on interface migration during phase transformations in steels and selected non-ferrous alloys (e.g., Ti-based) remains an active area of research that was inspired by seminal contributions of Mats Hillert. In previous studies we had introduced atomistically informed solute drag models for simulation of grain growth and recrystallization. In the present study this approach is extended to diffusional phase transformations where a fast-diffusing species (e.g., C in Fe) redistributes between the parent and daughter phases. The proposed methodology is demonstrated with a conceptional analysis of nano- and mesoscale phase field simulations for model binary and ternary alloys. The approach is shown to be consistent with the formulations of the Hillert–Sundman solute drag model. The challenges in applying this simulation approach to experimental data are critically discussed. [ABSTRACT FROM AUTHOR]

Despite the importance of Al and Ta as alloying elements for Co- and Ni-base alloys, there has been limited research on the phase equilibria in the Al-Co-Ta and Al-Ni-Ta systems. Additionally, the available data are sparse and sometimes inconsistent due to the peculiar experimental challenges of these systems. Based on that, a comprehensive and critical evaluation of their phase equilibria is useful in view of further experimental and computational studies. Within this framework, the Al-Co-Ta and Al-Ni-Ta ternary systems and the respective binary subsystems are here critically assessed. All available literature investigations are analyzed and as a result, a set of self-consistent diagrams and tables are presented, reporting crystal structure data, liquidus projections, isothermal sections, etc. [ABSTRACT FROM AUTHOR]

Thermodynamic databases are indispensable in providing phase equilibria and phase transformation for new alloys design and process optimization. The quality of calculated results is strongly dependent on the accuracy of the thermodynamic database. A thermodynamic database for multicomponent copper alloys has been developed, which contains 30 elements covering the major and minor alloying elements of most commercial copper alloys. About 330 binary and 60 ternary systems have been assessed over the entire composition range. Examples of assessments and calculations for typical binary and ternary systems were presented. A wide range of compositions from pure copper to complex commercial copper alloys can be calculated. Scheil solidification simulations were carried out using the thermodynamic database for predicting the phase formation sequence during solidification, as well as phase compositions and phase fractions. In conjunction with a compatible kinetic database, the present established thermodynamic database was used to simulate the microstructure evolution of copper alloys during the ageing process. The simulated results were verified by key experiments, which proves the accuracy of the thermodynamic database established by us. [ABSTRACT FROM AUTHOR]

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Interdiffusion data have gained utmost significance for predictive alloy design and process development with ever-increasing utilization of integrated computational materials engineering (ICME), Artificial Intelligence (AI) and Machine Learning (ML) in automobile industry. Titanium-Aluminium based alloys have great potential as lightweight alternative for steels. Hence, a review of interdiffusion studies reported in the β phase field of Ti-Al based ternary systems is presented. Availability of a variety of diffusivity terms at times create confusion in the users' minds. Hence, the review starts with a brief discussion on some basic concepts in diffusion. Significance of diffusional interactions is specifically emphasized in this review as observed in the several Ti-based systems reviewed here. New analytical expressions are presented for evolution of concentration profiles in multicomponent systems for two types of boundary conditions, one for periodic boundary conditions typically observed in homogenization process and another for diffusion couples with finite boundary conditions. The newly derived expressions are then used for simulating concentration profiles in two hypothetical ternary systems, mimicking Ti-Al-Fe and Ti-Al-Nb. The simulation results clearly bring out the fact that diffusional interactions in these ternary systems can be effectively utilized to selectively enhance or deplete certain regions of a particular component by appropriately setting up the relative concentration gradients of the diffusing species. [ABSTRACT FROM AUTHOR]

Superelastic metastable β-Ti-Nb alloys are attractive low-modulus materials for use in biomedical implants. The antibacterial properties of silver and its ability to lower the modulus of Ti-Nb-based transforming alloys make it an appealing ternary addition, but the Ti-Nb-Ag system is poorly characterised at present. This study elucidates the microstructure, equilibrium phases, and mechanical behaviour of a systematic series of Ti–24Nb–XAg (X = 0, 2, 6) (at.%) alloys. The mutual solubility of Nb and Ag in Ti overcame the immiscibility of Nb and Ag and produced an alloy with a single-phase β microstructure for low Ag concentrations. However, at silver concentrations above approximately 5 at.%, the solubility limit was reached and precipitates began to form. These precipitates were found to form quickly during recrystallisation, refining the grain size by Zener pinning, and persisted even after a 500 h heat treatment at 1100 °C. All three alloys showed non-linear-elastic behaviour typical of transforming alloys. The addition of up to 2 at.% Ag to Ti–24Nb was found to decrease the elastic modulus, suppress formation of the ω phase, and cause the critical transformation stress to decrease, though the transformation stress increased above that of Ti–24Nb when 6 at.% Ag is added. These results indicate that Ti-Nb-Ag alloys are a promising candidate for developing new low-modulus implants. [ABSTRACT FROM AUTHOR]

We have studied diffusion and thermodiffusion in the ternary system polystyrene + toluene + cyclohexane over the entire composition range of the binary solvent toluene + cyclohexane and for polymer concentrations up to 0.1 mass fractions by multi-color optical beam deflection. The polystyrene molar masses were 4.88 and 17.90 kg/mol. The inversion problem of the contrast factor matrix could be avoided by reasonable a priori assumptions about the diffusion eigenvectors. The fast mode of the bimodal dynamics is attributed to the interdiffusion of the two solvents at constant polymer concentration, whereas the slow mode is due to the diffusion of the polymer with respect to the binary solvent. The amplitude of the fast mode vanishes in the pure toluene and the pure cyclohexane limits of the mixed solvent. The amplitude of the slow mode increases with polymer concentration. The composition and temperature dependence of the slow diffusion eigenvalue, the hydrodynamic correlation length, and the Soret coefficient of the polymer reflect the transition from a good to a theta solvent with increasing cyclohexane content and with decreasing temperature. Due to cross diffusion, cyclohexane reverses its migration direction between the fast and the slow mode, leading to a positive thermodiffusion but a negative Soret coefficient. The polymer thermodiffusion coefficients during the slow mode vary by approximately a factor of two, depending on the solvent composition. Rescaling with the solvent viscosity collapses all data onto a single master curve with an extrapolated value of ηDT ≈ 6 × 10−15 Pa m2 K−1 in the dilute limit. This value is well known from various other binary polymer/solvent mixtures. [ABSTRACT FROM AUTHOR]

In the present work, we study the effect of quenching and annealing on the ferroelectric and piezoelectric properties at room temperature and elevated temperatures of a new ternary BiFeO3-PbTiO3-Li0.5Bi0.5TiO3 bulk piezo ceramic. While sacrificing part of the maximally obtainable piezoelectric constant value, using an optimal heat treatment, a quasi-stable value for the piezoelectric constant of 65 pC/N was obtained irrespective of the annealing temperature. All experimental results point to the direction of unusual defect behavior in this novel ternary system leading to a well-defined metastable state. The quenching and annealing process are completely reversible and can be used in combination with additional chemical modifications to tailor the properties of this new high-temperature piezoelectric ceramic to the intended use conditions. [ABSTRACT FROM AUTHOR]

As a commonly applied ignition composition, Zr/KClO 4 has attracted various interests and plenty of efforts have been made to improve the combustion performance. In this study, Si nanoparticles were incorporated into Zr/KClO 4 by sonication. Around 2.5× peak pressure and 9.2× reactivity were achieved by Si/50%Zr/KClO 4 when compared to Zr/KClO 4. In addition, the peak pressure and pressurization rate of Si/Zr/KClO 4 ternary systems are all superior to ones of both Zr/KClO 4 and Si/KClO 4 binary systems. The synergetic effect of Si/Zr/KClO 4 is a combination of shorter ignition delay of Zr/KClO 4 and more gas production of Si/KClO 4 , which is also reflected on the higher flame propagation rate of Si/Zr-based thermites than composites with pure Si or Zr as the fuel. Meanwhile, the heat release during the redox reaction has been measured. The results show ∼700–1000 J/g higher energy release than Zr/KClO 4 , and higher combustion efficiency can be attained by ternary systems than binary ones. Thus, adding Si powders is an effective way to improve the energetic behavior of Zr/KClO 4 ignition composition, and Si/Zr/KClO 4 ternary composites can be a promising candidate for application in pyrotechnics. [ABSTRACT FROM AUTHOR]

This paper has reported a novel ternary system consisting of (1- x - y) BiScO 3 - x PbTiO 3 - y CaZrO 3 (y CZ-BS- x PT). The phase structure, microstructure and electrical parameters of the new piezoelectric material at room temperature were studied in detail. The results showed that d 33 increased significantly with the increase of CZ content. Combined with the results of phase structure, the MPB of 0.02CZ-BS- x PT is located at x = 0.615, which demonstrates optimum piezoelectric performance (d 33 = 470 pC/N， k p = 52.0 %, ε r = 1704). At the same time, the in-situ high-temperature electrical parameters were characterized systematically. It is worth noting that the in-situ electrical parameters are more attractive. When the temperature rises from room temperature to 300 °C, the k t and k p of 0.02CZ-BS-0.615 PT decreases by less than 7 % and the k p reaches the maximum of 60.7 % at 200 °C, and remains 49.8 % even at 300 °C. In addition, the in-situ d 33 test of 0.005CZ-BS-0.63 PT showed that the d 33 of the material increased from room temperature to 424 °C, reaching a maximum of 690 pC/N. From room temperature to 300 °C, the change rate is only 26 %, lower than that of the undoped BS-PT, which is 38.6 %. And the d 33 * reaches a maximum of 994 p.m./V at 200 °C. The improved in-situ piezoelectric properties of y CZ-BS- x PT ternary system makes it a great candidate for high temperature piezoelectric applications. [ABSTRACT FROM AUTHOR]

The objective of this work was to improve the solubility and discover a stable co-amorphous form of valsartan (VAL), a BCS class-II drug, by utilizing small molecule 2-Aminopyridine (2-AP) in varying molar ratios (2:1, 1:1, and 1:2), employing a solvent evaporation technique. Additionally, by way of a density functional theory (DFT)-based computational method with commercially available software, a new approach for determining the intermolecular connectivity of multi-molecular hydrogen bonding systems was proposed. The binary systems' features were characterized by PXRD, DSC, FTIR, and Raman spectroscopy, while the equilibrium solubility and dissolution was determined in 0.1 N HCL and water conditions to investigate the dissolution advantage of the prepared co-amorphous systems. The results demonstrated that the co-amorphous system was successfully prepared in VAL/2-AP with a 1:2 molar ratio following solvent evaporation, whereby the hydrogen bonding sites of VAL were fully occupied. Physical stability studies were carried out under dry conditions at room temperature for 6 months. Furthermore, four possible ternary systems were constructed, and their vibrational modes were simulated by DFT calculations. The calculated infrared spectra of the four configurations varied widely, with trimer 1 showing the most resemblance to the experimental spectrum of the co-amorphous 1:2 system. Additionally, co-amorphous VAL/2-AP displayed significant improvement in the solubility and dissolution study. Notably, in the 1:2 ratio, there was almost a 4.5-fold and 15.6-fold increase in VAL's solubility in 0.1 N HCL and water environments, respectively. In conclusion, our findings highlight the potential of co-amorphous systems as a feasible approach to improving the properties and bioavailabilities of insoluble drugs. The proposed simulation method provides valuable insights into determining the supramolecular structure of multi-molecular hydrogen bonding systems, offering a novel perspective for investigating such systems. [ABSTRACT FROM AUTHOR]

In this work, the impact of lab synthetic addition agent, CSH-PCE nanocomposites (CPNs), on the early hydration property of the ternary binder containing Portland cement, limestone, and calcined coal gangue was investigated. CPNs were added in partial substitution of Portland cement by mass at 0%, 0.5%, 1.0%, 1.5%, 2.0%, 2.5% and 3.0%. X-ray diffraction (XRD), isothermal calorimetry, mercury intrusion porosimetry, and scanning electron microscopy were used to characterize the hydration and hydrates of the CPNs-modified pastes systematically. The workability and compressive strength of this ternary system was also studied. The obtained results indicated that the use of CPNs continuously improved the workability of the ternary mortar. The compressive strength of the ternary mortar increased with CPNs additions until the threshold limits of 3.0% and 2.5% before and after 12 h, under which the strength values were even higher than the reference OPC mortar at each age. Isothermal calorimetry results indicated that CPNs promoted cement hydration and produced more hydrates, which were also verified by the qualitative XRD analysis. This promotion effect leads to significant reduction in porosity as well as densification in microstructure within the ternary paste, ultimately resulting in enhanced early-age compressive strength. These findings provide valuable insights for designing lower carbon footprint ternary blends incorporating calcined coal gangue and limestone while maintaining comparable early-age compressive strength to traditional cement. [ABSTRACT FROM AUTHOR]

Hydrogen and hydride materials have long been considered promising materials for high‐temperature superconductivity. However, the extreme pressures required for the metallization of hydrogen‐based superconductors limit their applications. Here, a series of high‐temperature perovskite hydrides is designed that can be stable within 10 GPa. The research covered 182 ternary systems and ultimately determined that eight new compounds are stable within 20 GPa, of which five exhibited superconducting transition temperatures exceeding 120 K within 10 GPa, including KGaH3 (146 K at 10 GPa), RbInH3 (130 K at 6 GPa), CsInH3 (153 K at 9 GPa), RbTlH3 (170 K at 4 GPa) and CsTlH3 (163 K at 7 GPa). Excitingly, KGaH3 and RbGaH3 are thermodynamically stable at 50 GPa. Among these perovskite hydrides, alkali metals are responsible for providing a fixed amount of charge and supporting alloy framework composed of hydrogen and IIIA group elements to maintain stable crystal structure, while the cubic hydrogen alloy framework formed by IIIA group elements and hydrogen is crucial for high‐temperature superconductivity. This work will inspire further experimental exploration and take an important step in the exploration of low‐pressure stable high‐temperature superconductors. [ABSTRACT FROM AUTHOR]

Obtaining a fine approximation of a black-box function is important for understanding and evaluating innovative materials. Active learning aims to improve the approximation of black-box functions with fewer training data. In this study, we investigate whether active learning based on uncertainty sampling enables the efficient approximation of black-box functions in regression tasks using various material databases. In cases where the inputs are provided uniformly and defined in a relatively low-dimensional space, the liquidus surfaces of the ternary systems are the focus. The results show that uncertainty-based active learning can produce a better black-box function with higher prediction accuracy than that by random sampling. Furthermore, in cases in which the inputs are distributed discretely and unbalanced in a high-dimensional feature space, datasets extracted from materials databases for inorganic materials, small molecules, and polymers are addressed, and uncertainty-based active learning is occasionally inefficient. Based on the dependency on the material descriptors, active learning tends to produce a better black-box functions than random sampling when the dimensions of the descriptor are small. The results indicate that active learning is occasionally inefficient in obtaining a better black-box function in materials science. [ABSTRACT FROM AUTHOR]

Intermetallic phases with atomic ordering are highly active and stable in catalysts. However, understanding the atomistic mechanisms of disorder-to-order phase transition, particularly in multi-component systems, remains challenging. Here, we investigate the atom diffusion and phase transition within Pd@Pt-Co cubic nanoparticles during annealing, using in-situ electron microscopy and ex-situ atomic resolution element analysis. We reveal that initial outward diffusing Pd partially substitutes Pt, forming a (Pt, Pd)-Co ternary system in the surface region, enabling the phase transition at a low temperature of 400 °C, followed by shape-preserved inward propagation of the ordered phase. At higher temperatures, excessive interdiffusion across the interface changes the stoichiometric ratio, diminishing the atomic ordering, leading to obvious change in morphology. Calculations indicate that the Pd-substitute in (Pt, Pd)-Co system leads to a significantly lower phase transition temperature compared to that of Pt-Co alloy and thus a lower activation energy for atomic diffusion. These insights into atomistic behavior are crucial for future design of multi-component systems. Understanding atomic-level ordering in multi-component systems is a challenge. Here, the authors investigate atom diffusion in cubic Pd@Pt-Co nanoparticles and find that substitution of Pd into (Pt, Pd)-Co lowers the phase transition temperature. [ABSTRACT FROM AUTHOR]

Knowledge about the thermodynamic equilibria of the Al 2 O 3 –TiO 2 –CaO system is important for the design of refractory and ceramic materials. The Al 2 O 3 –TiO 2 , Al 2 O 3 –CaO and CaO–TiO 2 binary systems were reoptimized and the Al 2 O 3 –TiO 2 –CaO ternary system was assessed by CALPHAD (CAlculation of PHAse Diagram) approach due to the reliability of phase diagram and thermodynamic property data. The liquid phase was described by the ionic two-sublattice model with the formula (Al+3,Ti+2,Ti+3,Ca+2) P (O−2,AlO 1.5 ,Va,O,TiO 2) Q. A set of self-consistent thermodynamic parameters for the Al 2 O 3 –TiO 2 –CaO ternary system was finally obtained, reproducing well the phase diagram and thermodynamic properties, predicting the Ca 4 Ti 3 O 10 primary crystallization field. The present thermodynamic description is of interest for the design of refractory and ceramic materials as well as the development of thermodynamic databases for multicomponent aluminosilicate system. [ABSTRACT FROM AUTHOR]

Nowadays, electronic computers use a "binary" numbering system, as opposed to "ternary" logic, which is closer to the way the human brain thinks. In this paper, the symmetric ternary system is applied to membrane computing for the first time. By combining the symmetric ternary system with membrane computing, this paper provides a more suitable arithmetic operation method for bio-computers, which breaks through the limitations of the traditional binary system in complex operations, and has a great potential for application in artificial intelligence and automatic learning in particular. The P System we designed include: Π+ for symmetric ternary addition, Π* for symmetric ternary multiplication, and Π/ for symmetric ternary division. The operation process of each P System was explained through examples, and their feasibility and effectiveness were verified through simulation software, UPSimulator. The system we designed can be further applied to symmetric ternary applications. [ABSTRACT FROM AUTHOR]

Estimating tracer and intrinsic diffusion coefficients following the diffusion couple method with systematic composition variation can be challenging because of the diffusion paths' serpentine or double serpentine nature on the Gibbs triangle. Moreover, the possibility of estimating these diffusion coefficients from a single diffusion profile can have immense benefits. We have demonstrated four ways of estimating tracer and impurity diffusion coefficients in the FCC Fe-Mn-Cr solid solution: (i) We have shown that these can be estimated directly at the Kirkendall marker plane from a single conventional ternary diffusion profile. (ii) We have, for the first time, demonstrated that the estimation at the intersection of a conventional ternary and constrained pseudo-binary diffusion path is helpful for systematically generating composition-dependent tracer diffusion coefficients. (iii) We have followed the Kirkaldy-Lane method for estimating these diffusion coefficients at the intersection of two conventional ternary diffusion couples (for comparison of the data measured by new methods), although for data generation at random compositions. This was proposed a long time ago but practised occasionally. It helps to compare with the estimated data following other methods. (iv) Additionally, we have estimated the impurity diffusion coefficients of Cr and Mn in Fe following the Hall method, which helps in understanding the variation of the diffusion coefficients in Fe-Mn-Cr alloys compared to pure Fe. The sensitivity of data estimation following different methods, i.e. different equation schemes, is discussed, explaining the strategic design of diffusion couple for a small error range. [ABSTRACT FROM AUTHOR]