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Search Results (1,638)

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Keywords = solid phase formation

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25 pages, 5020 KiB  
Review
Research Progress on Tribological Properties of High-Entropy Alloys
by Shuai Zhang, Zhaofeng Wang, Wenqing Lin and Haoyu Guo
Lubricants 2025, 13(8), 342; https://doi.org/10.3390/lubricants13080342 (registering DOI) - 1 Aug 2025
Abstract
As a new type of alloy system composed of five or more principal components, high-entropy alloys demonstrate outstanding comprehensive performance in the field of friction and wear through the synergistic effects of the high-entropy effect, lattice distortion effect, hysteresis diffusion effect and cocktail [...] Read more.
As a new type of alloy system composed of five or more principal components, high-entropy alloys demonstrate outstanding comprehensive performance in the field of friction and wear through the synergistic effects of the high-entropy effect, lattice distortion effect, hysteresis diffusion effect and cocktail effect. This paper systematically reviews the research progress on the friction and wear properties of high-entropy alloys. The mechanisms of metal elements such as Al, Ti, Cu and Nb through solid solution strengthening, second-phase precipitation and oxide film formation were analyzed emphatically. And non-metallic elements such as C, Si, and B form and strengthen the regulation laws of their tribological properties. The influence of working conditions, such as high temperature, ocean, and hydrogen peroxide on the friction and wear behavior of high-entropy alloys by altering the wear mechanism, was discussed. The influence of test conditions such as load, sliding velocity and friction pair matching on its friction coefficient and wear rate was expounded. It is pointed out that high-entropy alloys have significant application potential in key friction components, providing reference and guidance for the further development and application of high-entropy alloys. Full article
(This article belongs to the Special Issue Tribological Performance of High-Entropy Alloys)
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22 pages, 9293 KiB  
Article
Thermal Stability of the Ultra-Fine-Grained Structure and Mechanical Properties of AlSi7MgCu0.5 Alloy Processed by Equal Channel Angular Pressing at Room Temperature
by Miloš Matvija, Martin Fujda, Ondrej Milkovič, Marek Vojtko and Katarína Gáborová
Crystals 2025, 15(8), 701; https://doi.org/10.3390/cryst15080701 (registering DOI) - 31 Jul 2025
Abstract
Understanding the limitations of cold-formed aluminum alloys in practice applications is essential, particularly due to the risk of substructural changes and a reduction in strength when exposed to elevated temperatures. In this study, the thermal stability of the ultra-fine-grained (UFG) structure formed by [...] Read more.
Understanding the limitations of cold-formed aluminum alloys in practice applications is essential, particularly due to the risk of substructural changes and a reduction in strength when exposed to elevated temperatures. In this study, the thermal stability of the ultra-fine-grained (UFG) structure formed by equal channel angular pressing (ECAP) at room temperature and the mechanical properties of the AlSi7MgCu0.5 alloy were investigated. Prior to ECAP, the plasticity of the as-cast alloy was enhanced by a heat treatment consisting of solution annealing, quenching, and artificial aging to achieve an overaged state. Four repetitive passes via ECAP route A resulted in the homogenization of eutectic Si particles within the α-solid solution, the formation of ultra-fine grains and/or subgrains with high dislocation density, and a significant improvement in alloy strength due to strain hardening. The main objective of this work was to assess the microstructural and mechanical stability of the alloy after post-ECAP annealing in the temperature range of 373–573 K. The UFG microstructure was found to be thermally stable up to 523 K, above which notable grain and/or subgrain coarsening occurred as a result of discontinuous recrystallization of the solid solution. Mechanical properties remained stable up to 423 K; above this temperature, a considerable decrease in strength and a simultaneous increase in ductility were observed. Synchrotron radiation X-ray diffraction (XRD) was employed to analyze the phase composition and crystallographic characteristics, while transmission electron microscopy (TEM) was used to investigate substructural evolution. Mechanical properties were evaluated through tensile testing, impact toughness testing, and hardness measurements. Full article
(This article belongs to the Special Issue Celebrating the 10th Anniversary of International Crystallography)
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27 pages, 8826 KiB  
Article
Comparative Analysis of Composition, Texture, and Sensory Attributes of Commercial Forms of Plant-Based Cheese Analogue Products Available on the Irish Market
by Farhan Ali, James A. O’Mahony, Maurice G. O’Sullivan and Joseph P. Kerry
Foods 2025, 14(15), 2701; https://doi.org/10.3390/foods14152701 (registering DOI) - 31 Jul 2025
Viewed by 1
Abstract
The increasing demand for plant-based foods has led to significant growth in the availability, at a retail level, of plant-based cheese analogue products. This study presents the first comprehensive benchmarking of commercially available plant-based cheese analogue (PBCA) products in the Irish market, comparing [...] Read more.
The increasing demand for plant-based foods has led to significant growth in the availability, at a retail level, of plant-based cheese analogue products. This study presents the first comprehensive benchmarking of commercially available plant-based cheese analogue (PBCA) products in the Irish market, comparing them against conventional cheddar and processed dairy cheeses. A total of 16 cheese products were selected from Irish retail outlets, comprising five block-style plant-based analogues, seven slice-style analogues, two cheddar samples, and two processed cheese samples. Results showed that plant-based cheese analogues had significantly lower protein content (0.1–1.7 g/100 g) than cheddar (25 g/100 g) and processed cheese (12.9–18.2 g/100 g) and lacked a continuous protein matrix, being instead stabilized largely by solid fats, starch, and hydrocolloids. While cheddar showed the highest hardness, some plant-based cheeses achieved comparable hardness using texturizing agents but still demonstrated lower tan δmax values, indicating inferior melting behaviour. Thermograms of differential scanning calorimetry presented a consistent single peak at ~20 °C across most vegan-based variants, unlike the dual-phase melting transitions observed in dairy cheeses. Sensory analysis further highlighted strong negative associations between PBCAs and consumer-relevant attributes such as flavour, texture, and overall acceptability. By integrating structural, functional, and sensory findings, this study identifies key formulation and performance deficits across cheese formats and provides direction for targeted improvements in next-generation PBCA product development. Full article
(This article belongs to the Section Plant Foods)
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23 pages, 3795 KiB  
Article
Structural Analysis of the Newly Prepared Ti55Al27Mo13 Alloy by Aluminothermic Reaction
by Štefan Michna, Jaroslava Svobodová, Anna Knaislová, Jan Novotný and Lenka Michnová
Materials 2025, 18(15), 3583; https://doi.org/10.3390/ma18153583 - 30 Jul 2025
Viewed by 108
Abstract
This study presents the structural and compositional characterisation of a newly developed Ti55Al27Mo13 alloy synthesised via aluminothermic reaction. The alloy was designed to overcome the limitations of conventional processing routes for high–melting–point elements such as Ti and Mo, enabling the formation of a [...] Read more.
This study presents the structural and compositional characterisation of a newly developed Ti55Al27Mo13 alloy synthesised via aluminothermic reaction. The alloy was designed to overcome the limitations of conventional processing routes for high–melting–point elements such as Ti and Mo, enabling the formation of a complex, multi–phase microstructure in a single high–temperature step. The aim was to develop and characterise a material with microstructural features expected to enhance wear resistance, oxidation behaviour, and thermal stability in future applications. The alloy is intended as a precursor for composite nanopowders and surface coatings applied to aluminium–, magnesium–, and iron–based substrates subjected to mechanical and thermal loading. Elemental analysis (XRF, EDS) confirmed the presence of Ti, Al, Mo, and minor elements such as Si, Fe, and C. Microstructural investigations using laser confocal and scanning electron microscopy revealed a heterogeneous structure comprising solid solutions, eutectic regions, and dispersed oxide and carbide phases. Notably, the alloy exhibits high hardness values, reaching >2400 HV in Al2O3 regions and ~1300 HV in Mo– and Si–enriched solid solutions. These results suggest the material’s substantial potential for protective surface engineering. Further tribological, thermal, and corrosion testing, conducted with meticulous attention to detail, will follow to validate its functional performance in target applications. Full article
(This article belongs to the Section Metals and Alloys)
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17 pages, 2495 KiB  
Article
Production Capacity and Temperature–Pressure Variation Laws in Depressurization Exploitation of Unconsolidated Hydrate Reservoir in Shenhu Sea Area
by Yuanwei Sun, Yuanfang Cheng, Yanli Wang, Jian Zhao, Xian Shi, Xiaodong Dai and Fengxia Shi
Processes 2025, 13(8), 2418; https://doi.org/10.3390/pr13082418 - 30 Jul 2025
Viewed by 171
Abstract
The Shenhu sea area is rich in unconsolidated hydrate reserves, but the formation mineral particles are small, the rock cementation is weak, and the coupling mechanism of hydrate phase change, fluid seepage, and formation deformation is complex, resulting in unclear productivity change law [...] Read more.
The Shenhu sea area is rich in unconsolidated hydrate reserves, but the formation mineral particles are small, the rock cementation is weak, and the coupling mechanism of hydrate phase change, fluid seepage, and formation deformation is complex, resulting in unclear productivity change law under depressurization exploitation. Therefore, a thermal–fluid–solid–chemical coupling model for natural gas hydrate depressurization exploitation in the Shenhu sea area was constructed to analyze the variation law of reservoir parameters and productivity. The results show that within 0–30 days, rapid near-well pressure drop (13.83→9.8 MPa, 36.37%) drives peak gas production (25,000 m3/d) via hydrate dissociation, with porosity (0.41→0.52) and permeability (75→100 mD) increasing. Within 30–60 days, slower pressure decline (9.8→8.6 MPa, 12.24%) and fines migration cause permeability fluctuations (120→90 mD), reducing gas production to 20,000 m3/d. Within 60–120 days, pressure stabilizes (~7.6 MPa) with residual hydrate saturation < 0.1, leading to stable low permeability (60 mD) and gas production (15,000 m3/d), with cumulative production reaching 2.2 × 106 m3. This study clarifies that productivity is governed by coupled “pressure-driven dissociation–heat limitation–fines migration” mechanisms, providing key insights for optimizing depressurization strategies (e.g., timed heat supplementation, anti-clogging measures) to enhance commercial viability of unconsolidated hydrate reservoirs. Full article
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19 pages, 3715 KiB  
Article
Quantum Chemical Investigation on the Material Properties of Al-Based Hydrides XAl2H2 (X = Ca, Sr, Sc, and Y) for Hydrogen Storage Applications
by Yong Guo, Rui Guo, Lei Wan and Youyu Zhang
Materials 2025, 18(15), 3521; https://doi.org/10.3390/ma18153521 - 27 Jul 2025
Viewed by 281
Abstract
Aluminum–hydrogen compounds have drawn considerable interest for applications in solid-state hydrogen storage. The structural, hydrogen storage, electronic, mechanical, phonon, and thermodynamic properties of XAl2H2 (X = Ca, Sr, Sc, Y) hydrides are investigated using density functional theory. These hydrides exhibit [...] Read more.
Aluminum–hydrogen compounds have drawn considerable interest for applications in solid-state hydrogen storage. The structural, hydrogen storage, electronic, mechanical, phonon, and thermodynamic properties of XAl2H2 (X = Ca, Sr, Sc, Y) hydrides are investigated using density functional theory. These hydrides exhibit negative formation energies in the hexagonal phase, indicating their thermodynamic stability. The gravimetric hydrogen storage capacities of CaAl2H2, SrAl2H2, ScAl2H2, and YAl2H2 are calculated to be 1.41 wt%, 0.94 wt%, 1.34 wt%, and 0.93 wt%, respectively. Analysis of the electronic density of states reveals metallic characteristics. Furthermore, the calculated elastic constants satisfy the Born stability criteria, confirming their mechanical stability. Additionally, through phonon spectra analysis, dynamical stability is verified for CaAl2H2 and SrAl2H2 but not for ScAl2H2 and YAl2H2. Finally, we present temperature-dependent thermodynamic properties. This research reveals that XAl2H2 (X = Ca, Sr, Sc, Y) materials represent promising candidates for solid-state hydrogen storage, providing a theoretical foundation for further studies on XAl2H2 systems. Full article
(This article belongs to the Section Energy Materials)
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25 pages, 4401 KiB  
Article
Impact of High Energy Milling and Mineral Additives on a Carbonate–Quartz–Apatite System for Ecological Applications
by Vilma Petkova, Katerina Mihaylova, Ekaterina Serafimova, Rositsa Titorenkova, Liliya Tsvetanova and Andres Trikkel
Materials 2025, 18(15), 3508; https://doi.org/10.3390/ma18153508 - 26 Jul 2025
Viewed by 308
Abstract
In this study, high-energy milled (HEM) samples of natural phosphorites from Estonian deposits were investigated. The activation was performed via planetary mill with Cr-Ni grinders with a diameter of 20 mm. This method is an ecological alternative, since it eliminates the disadvantages of [...] Read more.
In this study, high-energy milled (HEM) samples of natural phosphorites from Estonian deposits were investigated. The activation was performed via planetary mill with Cr-Ni grinders with a diameter of 20 mm. This method is an ecological alternative, since it eliminates the disadvantages of conventional acid methods, namely the release of gaseous and solid technogenic products. The aim of the study is to determine the changes in the structure to follow the solid-state transitions and the isomorphic substitutions in the anionic sub-lattice in the structure of the main mineral apatite in the samples from Estonia, under the influence of HEM activation. It is also interesting to investigate the influence of HEM on structural-phase transformations on the structure of impurity minerals-free calcite/dolomite, pyrite, quartz, as well as to assess their influence on the thermal behavior of the main mineral apatite. The effect of HEM is monitored by using a complex of analytical methods, such as chemical analysis, powder X-ray diffraction (PXRD), wavelength-dispersive X-ray fluorescence (WD-XRF) analysis, and Fourier-transformed infrared (FTIR) analysis. The obtained results prove the correlation in the behavior of the studied samples with regard to their quartz content and bonded or non-bonded carbonate ions. After HEM activation of the raw samples, the following is established: (i) anionic isomorphism with formation of A and A-B type carbonate-apatites and hydroxyl-fluorapatite; (ii) solid-phase synthesis of calcium orthophosphate-CaHPO4 (monetite) and dicalcium diphosphate-β-Ca2P2O7; (iii) enhanced chemical reactivity by approximately three times by increasing the solubility via HEM activation. The dry milling method used is a suitable approach for solving technological projects to improve the composition and structure of soils, increasing soil fertility by introducing soluble forms of calcium phosphates. It provides a variety of application purposes depending on the composition, impurities, and processing as a soil improver, natural mineral fertilizer, or activator. Full article
(This article belongs to the Special Issue Advances in Rock and Mineral Materials—Second Edition)
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12 pages, 4589 KiB  
Article
Unveiling the Photocatalytic Behavior of PNTP on Au-Ag Alloy Nanoshells Through SERS
by Wenpeng Yang, Wenguang Geng, Xiyuan Lu, Lihua Qian, Shijun Luo, Lei Xu, Yu Shi, Tengda Song and Mengyang Li
Catalysts 2025, 15(8), 705; https://doi.org/10.3390/catal15080705 - 24 Jul 2025
Viewed by 380
Abstract
Au-Ag alloy nanoshells (ANSs) were synthesized via chemical reduction, exhibiting superior plasmonic photocatalytic performance. TEM revealed uniform hollow structures (~80 nm), while EDS mapping confirmed homogeneous Au-Ag distribution throughout the shell. According to EDX analysis, the alloy contained 71.40% Ag by weight. XRD [...] Read more.
Au-Ag alloy nanoshells (ANSs) were synthesized via chemical reduction, exhibiting superior plasmonic photocatalytic performance. TEM revealed uniform hollow structures (~80 nm), while EDS mapping confirmed homogeneous Au-Ag distribution throughout the shell. According to EDX analysis, the alloy contained 71.40% Ag by weight. XRD verified the formation of a substitutional solid solution without phase separation. The photocatalytic activity was evaluated using p-nitrothiophenol (PNTP) to 4,4′-dimercapto-azobenzene (DMAB) conversion monitored by SERS. UV-Vis spectroscopy showed LSPR peaks of ANSs between Au and Ag NPs, confirming effective alloying. Kinetic studies revealed that ANSs exhibited reaction rates 250–351 times higher than those of Au NPs and 5–10 times higher than those of Ag NPs. This resulted from the synergistic catalysis of Au-Ag and enhanced electromagnetic fields. ANSs demonstrated dual functionality as SERS substrates and photocatalysts, providing a foundation for developing multifunctional nanocatalytic materials. Full article
(This article belongs to the Section Photocatalysis)
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19 pages, 3800 KiB  
Article
Influence of Ni and Nb Addition in TiVCr-Based High Entropy Alloys for Room-Temperature Hydrogen Storage
by Srilakshmi Jeyaraman, Dmitri L. Danilov, Peter H. L. Notten, Udaya Bhaskar Reddy Ragula, Vaira Vignesh Ramalingam and Thirugnasambandam G. Manivasagam
Energies 2025, 18(15), 3920; https://doi.org/10.3390/en18153920 - 23 Jul 2025
Viewed by 267
Abstract
TiVCr-based alloys are well-explored body-centered cubic (BCC) materials for hydrogen storage applications that can potentially store higher amounts of hydrogen at moderate temperatures. The challenge remains in optimizing the alloy-hydrogen stability, and several transition elements have been found to support the reduction in [...] Read more.
TiVCr-based alloys are well-explored body-centered cubic (BCC) materials for hydrogen storage applications that can potentially store higher amounts of hydrogen at moderate temperatures. The challenge remains in optimizing the alloy-hydrogen stability, and several transition elements have been found to support the reduction in the hydride stability. In this study, Ni and Nb transition elements were incorporated into the TiVCr alloy system to thoroughly understand their influence on the (de)hydrogenation kinetics and thermodynamic properties. Three different compositions, (TiVCr)95Ni5, (TiVCr)90 Ni10, and (TiVCr)95Ni5Nb5, were prepared via arc melting. The as-prepared samples showed the formation of a dual-phase BCC solid solution and secondary phase precipitates. The samples were characterized using hydrogen sorption studies. Among the studied compositions, (TiVCr)90Ni10 exhibited the highest hydrogen absorption capacity of 3 wt%, whereas both (TiVCr)95Ni5 and (TiVCr)90Ni5Nb5 absorbed up to 2.5 wt% hydrogen. The kinetics of (de)hydrogenation were modeled using the JMAK and 3D Jander diffusion models. The kinetics results showed that the presence of Ni improved hydrogen adsorption at the interface level, whereas Nb substitution enhanced diffusion and hydrogen release at room temperature. Thus, the addition of Ni and Nb to Ti-V-Cr-based high-entropy alloys significantly improved the hydrogen absorption and desorption properties at room temperature for gas-phase hydrogen storage. Full article
(This article belongs to the Special Issue Hydrogen Energy Storage: Materials, Methods and Perspectives)
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12 pages, 1897 KiB  
Article
Enhanced Extraction of Valuable Metals from Copper Slags by Disrupting Fayalite and Spinel Structures Using Sodium Sulfate
by Shafiq Alam, Behzod Tolibov, Madat Akhmedov, Umidjon Khujamov and Sardor Yarlakabov
Minerals 2025, 15(8), 771; https://doi.org/10.3390/min15080771 - 22 Jul 2025
Viewed by 647
Abstract
This study investigates the effects of sodium sulfate (Na2SO4) dosage, reaction temperature, and processing time on the structural decomposition of complex compounds in copper slag. Experimental results demonstrated that applying 20% Na2SO4 achieves an impressive decomposition [...] Read more.
This study investigates the effects of sodium sulfate (Na2SO4) dosage, reaction temperature, and processing time on the structural decomposition of complex compounds in copper slag. Experimental results demonstrated that applying 20% Na2SO4 achieves an impressive decomposition rate of 89%, highlighting its effectiveness in liberating valuable metals from the slag matrix. The optimal temperature for maximizing fayalite decomposition is determined to be 900 °C, which significantly enhances reaction kinetics and efficiency. Furthermore, extending the reaction time to 90 min resulted in the highest observed decomposition efficiency. Subsequent leaching experiments in sulfuric acid confirmed that the liberated metal transitioned into the solution phase was very effective, ensuring high metal recovery rates. The treated samples demonstrated metal recovery rates of 97% for copper (Cu), 96% for iron (Fe), and 93% for zinc (Zn). In contrast, the untreated samples exhibited considerably lower recovery rates, with copper at 61%, iron at 59%, and zinc at 65%. Additionally, this approach mitigates filtration challenges by preventing the formation of silica gel. These findings provide key operational parameters for optimizing metal recovery from copper slag and establish a solid foundation for advancing sustainable and efficient resource extraction research. Full article
(This article belongs to the Special Issue Hydrometallurgical Treatments of Copper Ores, By-Products and Waste)
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22 pages, 4859 KiB  
Article
Engineered Ceramic Composites from Electrolytic Manganese Residue and Fly Ash: Fabrication Optimization and Additive Modification Mechanisms
by Zhaohui He, Shuangna Li, Zhaorui Li, Di Zhang, Guangdong An, Xin Shi, Xin Sun and Kai Li
Sustainability 2025, 17(14), 6647; https://doi.org/10.3390/su17146647 - 21 Jul 2025
Viewed by 402
Abstract
The sustainable valorization of electrolytic manganese residue (EMR) and fly ash (FA) presents critical environmental challenges. This study systematically investigates the performance optimization of EMR-FA ceramic composites through the coordinated regulation of raw material ratios, sintering temperatures, and additive effects. While the composite [...] Read more.
The sustainable valorization of electrolytic manganese residue (EMR) and fly ash (FA) presents critical environmental challenges. This study systematically investigates the performance optimization of EMR-FA ceramic composites through the coordinated regulation of raw material ratios, sintering temperatures, and additive effects. While the composite with 85 g FA exhibits the highest mechanical strength, lowest porosity, and minimal water absorption, the formulation consisting of 45 wt% EMR, 40 wt% FA, and 15 wt% kaolin is identified as a balanced composition that achieves an effective compromise between mechanical performance and solid waste utilization efficiency. Sintering temperature studies revealed temperature-dependent property enhancement, with controlled sintering at 1150 °C preventing the over-firing phenomena observed at 1200 °C while promoting phase evolution. XRD-SEM analyses confirmed accelerated anorthite formation and the morphological transformations of FA spherical particles under thermal activation. Additive engineering demonstrated that 8 wt% CaO addition enhanced structural densification through hydrogrossular crystallization, whereas Na2SiO3 induced sodium-rich calcium silicate phases that suppressed anorthite development. Contrastingly, ZrO2 facilitated zircon nucleation, while TiO2 enabled progressive performance enhancement through amorphous phase modification. This work establishes fundamental phase–structure–property relationships and provides actionable engineering parameters for sustainable ceramic production from industrial solid wastes. Full article
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13 pages, 2300 KiB  
Article
A Hierarchically Structured Ni-NOF@ZIF-L Heterojunction Using Van Der Waals Interactions for Electrocatalytic Reduction of CO2 to HCOOH
by Liqun Wu, Xiaojun He and Jian Zhou
Appl. Sci. 2025, 15(14), 8095; https://doi.org/10.3390/app15148095 - 21 Jul 2025
Viewed by 226
Abstract
The electrocatalytic CO2 reduction reaction (CO2RR) offers an energy-saving and environmentally friendly approach to producing hydrocarbon fuels. The use of a gas diffusion electrode (GDE) flow cell has generally improved the rate of CO2RR, while the gas diffusion [...] Read more.
The electrocatalytic CO2 reduction reaction (CO2RR) offers an energy-saving and environmentally friendly approach to producing hydrocarbon fuels. The use of a gas diffusion electrode (GDE) flow cell has generally improved the rate of CO2RR, while the gas diffusion layer (GDL) remains a significant challenge. In this study, we successfully engineered a novel metal–organic framework (MOF) heterojunction through the controlled coating of zeolitic imidazolate framework (ZIF-L) on ultrathin nickel—metal–organic framework (Ni-MOF) nanosheets. This innovative architecture simultaneously integrates GDL functionality and exposes abundant solid–liquid–gas triple-phase boundaries. The resulting Ni-MOF@ZIF-L heterostructure demonstrates exceptional performance, achieving a formate Faradaic efficiency of 92.4% while suppressing the hydrogen evolution reaction (HER) to 6.7%. Through computational modeling of the optimized heterojunction configuration, we further elucidated its competitive adsorption behavior and electronic modulation effects. The experimental and theoretical results demonstrate an improvement in electrochemical CO2 reduction activity with suppressed hydrogen evolution for the heterojunction because of its hydrophobic interface, good electron transfer capability, and high CO2 adsorption at the catalyst interface. This work provides a new insight into the rational design of porous crystalline materials in electrocatalytic CO2RR. Full article
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29 pages, 4982 KiB  
Article
Comprehensive Investigation of Polymorphic Stability and Phase Transformation Kinetics in Tegoprazan
by Joo Ho Lee, Ki Hyun Kim, Se Ah Ryu, Jason Kim, Kiwon Jung, Ki Sung Kang and Tokutaro Yamaguchi
Pharmaceutics 2025, 17(7), 928; https://doi.org/10.3390/pharmaceutics17070928 - 18 Jul 2025
Viewed by 419
Abstract
Background/Objectives: Tegoprazan (TPZ) is a potassium-competitive acid blocker (P-CAB) used to treat conditions such as gastroesophageal reflux disease, peptic ulcer, and Helicobacter pylori infection. It exists in three solid forms: amorphous, Polymorph A, and Polymorph B. This study investigates the molecular basis of [...] Read more.
Background/Objectives: Tegoprazan (TPZ) is a potassium-competitive acid blocker (P-CAB) used to treat conditions such as gastroesophageal reflux disease, peptic ulcer, and Helicobacter pylori infection. It exists in three solid forms: amorphous, Polymorph A, and Polymorph B. This study investigates the molecular basis of polymorph selection, focusing on conformational bias and solvent-mediated phase transformations (SMPTs). Methods: The conformational energy landscapes of two TPZ tautomers were constructed using relaxed torsion scans with the OPLS4 force field and validated by nuclear Overhauser effect (NOE)-based nuclear magnetic resonance (NMR). Hydrogen-bonded dimers were analyzed using DFT-D. Powder X-ray diffraction (PXRD), differential scanning calorimetry (DSC), solubility, and slurry tests were conducted using methanol, acetone, and water. Kinetic profiles were modeled with the Kolmogorov–Johnson–Mehl–Avrami (KJMA) equation. Results: Polymorph A was thermodynamically stable across all analyses. Both amorphous TPZ and Polymorph B converted to A in a solvent-dependent manner. Methanol induced direct A formation, while acetone showed a B → A transition. Crystallization was guided by solution conformers and hydrogen bonding. Conclusions: TPZ polymorph selection is governed by solution-phase conformational preferences, tautomerism, and solvent-mediated hydrogen bonding. DFT-D and NMR analyses showed that protic solvents favor the direct crystallization of stable Polymorph A, while aprotic solvents promote the transient formation of metastable Polymorph B. Elevated temperatures and humidity accelerate polymorphic transitions. This crystal structure prediction (CSP)-independent strategy offers a practical framework for rational polymorph control and the mitigation of disappearing polymorph risks in tautomeric drugs. Full article
(This article belongs to the Special Issue Drug Polymorphism and Dosage Form Design, 2nd Edition)
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15 pages, 3240 KiB  
Article
Utilization of Chromite Spinel Powder in the Metallothermic Smelting of Low-Carbon Ferrochrome
by Yerbolat Makhambetov, Magzhan Kutzhanov, Ruslan Toleukadyr, Aibar Myrzagaliyev, Zhadiger Sadyk, Zhalgas Saulebek and Amankeldy Akhmetov
Processes 2025, 13(7), 2288; https://doi.org/10.3390/pr13072288 - 18 Jul 2025
Viewed by 300
Abstract
This study investigates the feasibility of producing low-carbon FeCr via metallothermic smelting of Cr concentrate and chromite spinel powder using a complex FeAlSiCa alloy as the reductant in an induction furnace. The proposed approach offers an alternative to conventional carbothermic and oxygen-blown technologies, [...] Read more.
This study investigates the feasibility of producing low-carbon FeCr via metallothermic smelting of Cr concentrate and chromite spinel powder using a complex FeAlSiCa alloy as the reductant in an induction furnace. The proposed approach offers an alternative to conventional carbothermic and oxygen-blown technologies, reducing both the carbon footprint and airborne emissions. Three charge compositions were tested with varying FeAlSiCa additions (12, 14, and 16 kg per 100 kg of Cr source) and partial replacement of Cr concentrate with up to 20% CSP. Thermodynamic and microstructural analyses were conducted, and the effects of the slag basicity, temperature profiles, and holding time were assessed. In optimal conditions, Cr recovery reached up to 80% with minimal Cr2O3 losses in slag, and the resulting alloys met ISO 5448-81 requirements for nitrogen-containing low-carbon FeCr. Microstructural examination revealed the formation of Fe-Cr solid solutions and CrN phases, with V incorporation from the FeAlSiCa alloy. The process proved stable and energy-efficient, producing compact, non-disintegrating slag. This study highlights the potential of induction furnace smelting and chromite spinel powder valorization as a sustainable path for FeCr production. Full article
(This article belongs to the Section Manufacturing Processes and Systems)
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16 pages, 4905 KiB  
Article
Characteristics of Laser-Remelted Al–Ca–Cu–Mn (Zr) Alloys as a New Material for Additive Manufacturing
by Nikolay V. Letyagin, Torgom K. Akopyan, Pavel A. Palkin, Stanislav O. Cherkasov, Anastasiya S. Fortuna, Alexandr B. Lyukhter and Ruslan Yu. Barkov
J. Manuf. Mater. Process. 2025, 9(7), 242; https://doi.org/10.3390/jmmp9070242 - 17 Jul 2025
Viewed by 354
Abstract
In this study, prospects of designing new Al–Ca–Cu–Mn (Zr) alloys for additive manufacturing (AM) were evaluated for the example of laser remelting of thin-sheet rolled products. The new as-cast alloys have a hypereutectic structure containing Al27Ca3Cu7 primary crystals [...] Read more.
In this study, prospects of designing new Al–Ca–Cu–Mn (Zr) alloys for additive manufacturing (AM) were evaluated for the example of laser remelting of thin-sheet rolled products. The new as-cast alloys have a hypereutectic structure containing Al27Ca3Cu7 primary crystals and ultrafine eutectic particles of (Al,Cu)4Ca and Al27Ca3Cu7 phases in equilibrium with the aluminum solid solution. The solid solutions are additionally strengthened by alloying with Mn and micro additions of Zr, which contribute to the formation of coarsening-resistant phases without compromising the manufacturability of the alloys. Laser remelting, which simulates AM-typical solidification conditions, promotes the formation of a pseudoeutectic cellular structure without the occurrence of undesirable primary Al27Ca3Cu7. The size of the dendritic cells and eutectic particles is 10 times smaller (for solidification rates of ~200 K/s) than that of the as-cast state. This structure provides for a higher hardness of the laser-remelted alloy (96 HV) as compared to the as-cast alloy (85 HV). Data for the alloy after 350–400 °C long-term annealing for up to 100 h show that the hardness of the Al–Ca–Cu–Mn–Zr alloys declines relatively slowly by ~7.5% as compared to the Zr-free alloy, whose hardness decreases by ~22%. Thus, one can consider these alloys as a promising candidate for AM processes that require high thermal stability. Full article
(This article belongs to the Special Issue Laser Surface Modification: Advances and Applications)
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