Journal of Alloys and Compounds最新文献

{"title":"Development of low-cost Ti alloys with a balanced strength and ductility with generation of ultra-fine microstructures","authors":"Zhiyi Zou, Matthew K Dunstan, Brandon McWilliams, Stuart Robertson, Richard Hague, Marco Simonelli","doi":"10.1016/j.jallcom.2025.180786","DOIUrl":"https://doi.org/10.1016/j.jallcom.2025.180786","url":null,"abstract":"This study aims to understand the interplay between strength and ductility in metastable β-Ti alloys based on eutectoid and neutral elements. A low-cost ternary Ti-7Cr-4Sn alloy was prepared by furnace cooling from the single β region at the end of the primary processing. Although isothermal ω, a nano-precipitation generally considered to embrittle the material, is present in the obtained ultra-fine microstructure, the material still exhibits a balanced strength and ductility, with a yield stress of 1067<!-- --> <!-- -->MPa and elongation of about 10%. The obtained tensile properties surpass traditional primary processed Ti-6Al-4V, and are comparable to a range of expensive commercial high-strength aerospace Ti alloys. Multiple microstructural features, including grain boundary α (α_GB), short rod shape primary α (α_P), isothermal ω (ω_iso) and ω assisted secondary α (α_s) are characterised within the room temperature microstructure. Microstructural analysis reveals that strong Cr segregation in the β phase and slight partitioning of Sn between the α and β phase strengthens the β phase while also preserving ductility in the alloy. This results in a microstructure dominated by the ductile α phase and sub-micron α grain boundaries. This study also discusses the evolution of these microstructural features during different stages of cooling from β matrix, substantiating a promising alloy design strategy for affordable high-performance new Ti alloys.","PeriodicalId":344,"journal":{"name":"Journal of Alloys and Compounds","volume":"93 1","pages":""},"PeriodicalIF":6.2,"publicationDate":"2025-05-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143905465","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Synergistic regulation of sulfides and carbon in Fe-doped CoS2@MOF-based nanocomposites for enhanced catalytic performance","authors":"Yihua Wang, Zhuxi Ouyang, Xiaolu Liu, Songhui Liang, Weipeng Lai, Xiaoshuang Li, Chengqun Xu, Qi Feng, Donghua Fan","doi":"10.1016/j.jallcom.2025.180769","DOIUrl":"https://doi.org/10.1016/j.jallcom.2025.180769","url":null,"abstract":"Multimetal doping CoS₂ offers a promising strategy for developing high-performance electrocatalysts for the oxygen evolution reaction (OER). The performance of such catalysts is often limited by insufficient active sites exposure and low electrical conductivity. While previous literatures have focused on high-temperature complete carbonization of metal-organic frameworks (MOFs) into nanotubes, research on partial carbonization of MOFs remains limited. In this study, we successfully prepared porous Co₉Fe₁-MOF/S composites with enhanced OER performance by optimizing Co:Fe doping ratios, sulfidation temperature, and sulfur content. The results show that Fe doping significantly improved the electrical conductivity and increased the exposure of active sites, attributed to electronic structure modifications and the formation of nanosheet-like morphologies. After optimized sulfidation treatment, the samples achieved effective Fe incorporation and amorphous carbon formation while maintaining the porous structure of the MOF, further enhancing the catalytic activity. The prepared Co₉Fe₁-MOF/S samples exhibited excellent performance with a low overpotential of 308<!-- --> <!-- -->mV and a small Tafel slope of 55.4<!-- --> <!-- -->mV dec^-¹ in 1.0<!-- --> <!-- -->M KOH solution, along with outstanding durability. Density functional theory (DFT) calculations confirmed the significant improvement in electrical conductivity resulting from Fe doping. This study provides important theoretical and experimental insight for designing high-performance bimetallic sulfide-based OER electrocatalysts.","PeriodicalId":344,"journal":{"name":"Journal of Alloys and Compounds","volume":"43 1","pages":""},"PeriodicalIF":6.2,"publicationDate":"2025-05-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143909990","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Cracking Mechanism and Mitigation Strategy in Laser-Metal-Deposited NiCoCrAlY Coating by Correlating Microstructure with Real-time Thermal Signature","authors":"Saikat Nandi, Prasenjit Patra, Saurav Misra, Partha Saha, Pranab K Dan","doi":"10.1016/j.jallcom.2025.180738","DOIUrl":"https://doi.org/10.1016/j.jallcom.2025.180738","url":null,"abstract":"This study addresses microstructure evolution from the solidification of different phases, ‘crack,’ and its mitigation in a β-NiAl dominated NiCoCrAlY coating realized through Laser metal deposition on Inconel 718 substrate. Online temperature profiling of the ‘melt pool’ was carried out by an infrared pyrometer to correlate microstructure, phases, residual stress, and crack density. A comprehensive cracking mechanism comprising solidification, liquation, and brittle cracking is evidenced based on initiation ‘sites,’ propagation path, and fracture surface by correlating the microstructural findings from differential scanning calorimetry, advanced characterizations, like electron back-scattered diffraction, transmission electron microscopy, and nano-indentation. Furthermore, this study embarks upon mitigating ‘cracks’ by tuning the laser parameters and pre-heating schedule, where the latter turns out as efficacious as hard β-phase is retained. This experimental study reveals that a pre-heat temperature close to the ‘ductile-to-brittle transition temperature (<em>DBTT</em>)’ of the β-phase can eliminate cracks in the coating. The effect of this mitigation strategy on microhardness, elasticity, and flexural strength is measured through micro-indentation, nano-indentation, and three-point bend tests, respectively. The results show a significant improvement of 24% in elasticity, doubling the flexural strength while delimiting the drop in microhardness by 22% only.","PeriodicalId":344,"journal":{"name":"Journal of Alloys and Compounds","volume":"20 1","pages":""},"PeriodicalIF":6.2,"publicationDate":"2025-05-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143909994","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"DFT-based thermodynamic stabilities of the ternary compounds and calculation of the system U-B-C","authors":"J. Vrestal ,&nbsp;R. Podloucky ,&nbsp;H. Noël ,&nbsp;P.F. Rogl","doi":"10.1016/j.jallcom.2025.180592","DOIUrl":"10.1016/j.jallcom.2025.180592","url":null,"abstract":"<div><div>Based on experimental data for (a) the isothermal section at 1600°C, (b) the melting points of UBC and UB₂C as well as (c) for the energy of formation of the aforementioned two ternary compounds, which were calculated from density functional theory (DFT), the thermodynamic phase equilibria in the ternary system have been calculated i.e. phase relations have been defined for the isothermal sections at 1600°C, 1800°C, 2000°C, 2200°C, 2400°C and for four isopleths B - UC, U - B₄C, UB₂ - UC₂, and B₄C - UC. The equilibrium solidification path of alloys is outlined in a liquidus surface and a Schultz-Scheil diagram. The thermodynamic modelling perfectly complies with the phase equilibria observed experimentally, with the relevant homogeneity regions of the binary and ternary phases, as well as with the regions of primary crystallization of the ternary solid phases, UB_1-xC_1+x and UB₂C. Due to the two-phase equilibria formed between the ternary compounds and between binary borides and carbides, we neither observe compatibility between uranium metal and B₄C, nor between B₄C and UC. Applying the Vienna Ab initio Simulation Package VASP for density-functional-theory (DFT) based first-principles calculations, the compounds UBC, UB₂C (high and low temperature modifications) as well as the hypothetical compounds \"U₂B₂C₃\" and \"U₃B₂C₃\", which both adopt the structure of the Th-homologues, were studied. In all cases the crystal structures were fully relaxed by optimizing total energy and strain. Because of the heavy element U, spin-orbit coupling (SOC) was included in the DFT calculations. The resulting total energies serve as basis for deriving the enthalpy of formation at zero Kelvin. Electron densities of states (eDOS) are presented as well as results for magnetic moments, which are in the range of ∼0.2 to ∼1.7 µ_B.</div></div>","PeriodicalId":344,"journal":{"name":"Journal of Alloys and Compounds","volume":"1028 ","pages":"Article 180592"},"PeriodicalIF":5.8,"publicationDate":"2025-05-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143903937","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Significantly enhancing the performance of PEDOT: PSS/Si hybrid solar cells by simply introducing a MoOX interface layer","authors":"Yiqian Cui, Yuchen Xiong, Jiawen Wang, Yu Zhang, Wei Yu","doi":"10.1016/j.jallcom.2025.180782","DOIUrl":"https://doi.org/10.1016/j.jallcom.2025.180782","url":null,"abstract":"The formation of ohmic contact between the carrier transport layer and the electrode is necessary for the high-performance solar cells. However, in the PEDOT: PSS/Si hybrid solar cells, the low conductivity of PEDOT: PSS and the high contact barrier between PEDOT: PSS and Ag electrodes result in high contact resistance, which inhibits the improvement of cell efficiency. In this work, the above two issues were improved simultaneously by simply introducing a MoO_X interface layer between PEDOT: PSS and Ag electrodes. The detailed characterization and analytical results show that the quinoid structure of PEDOT: PSS films and the Mo⁵⁺ with metallization electricity properties increased significantly due to the interaction between PEDOT: PSS and MoO_X, reducing the resistivity of PEDOT: PSS. At the same time, the contact potential barrier was reduced due to the formation of MoO_X/Ag composite electrodes with high work function (WF). In addition, the PEDOT: PSS/MoO_X films with higher WF led to a higher built-in electric field. Due to these collaborative improvements, a PEDOT: PSS/Si solar cell with a high power conversion efficiency (PCE) of 15.02% was achieved. This work provides a new idea to modify the interface between PEDOT: PSS and Ag electrodes for improving the PCE of PEDOT: PSS/Si hybrid solar cells.","PeriodicalId":344,"journal":{"name":"Journal of Alloys and Compounds","volume":"110 1","pages":""},"PeriodicalIF":6.2,"publicationDate":"2025-05-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143909891","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Mechanism of porosity-induced damage evolution and failure in high pressure die casting AE81 magnesium alloy: An in-situ SEM and micro-CT study","authors":"Hecong Xie, Yongfeng Li, Jiangfeng Song, Ling Qin, Hengrui Hu, Chuangming Li, Chunyu Li, Bin Jiang, Dongxia Xiang","doi":"10.1016/j.jallcom.2025.180790","DOIUrl":"https://doi.org/10.1016/j.jallcom.2025.180790","url":null,"abstract":"This study investigates the mechanisms behind damage evolution caused by porosity during the tensile deformation of high pressure die casting (HPDC) AE81 magnesium alloy, using in-situ scanning electron microscopy (SEM) and in-situ X-ray computed tomography (micro-CT). The results reveal that net-shrinkage and shrinkage porosities—particularly those oriented perpendicular to the tensile direction—serve as the primary sites for crack initiation. Throughout the deformation process, phenomena such as porosity nucleation, growth, coalescence, and linkage have been observed. The porosity growth rate in HPDC AE81 magnesium alloy is approximately 17.8, and this relatively high growth rate may contribute to its reduced ductility. Porosity orientation plays a crucial role in the material's failure; when the length of the porosities aligns perpendicular to the tensile direction, stress concentration is more likely, which accelerates crack nucleation. Ultimately, the fracture failure of HPDC AE81 magnesium alloy occurs due to the combined effects of porosity coalescence and shear fracture mechanisms. Additionally, regions of stress concentration, identified through three-dimensional (3D) strain field analysis, provide a reliable method for predicting the fracture locations in HPDC magnesium alloy specimens.","PeriodicalId":344,"journal":{"name":"Journal of Alloys and Compounds","volume":"106 1","pages":""},"PeriodicalIF":6.2,"publicationDate":"2025-05-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143909893","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Dual functional Coatings: Comparative Study of Corrosion Indicators for Corrosion Reporting and Self-healing on MgAZ31 Alloy","authors":"Ramay Patra, B. Vijay, K.R.C. Soma Raju, K.V. Gobi, R. Subasri","doi":"10.1016/j.jallcom.2025.180755","DOIUrl":"https://doi.org/10.1016/j.jallcom.2025.180755","url":null,"abstract":"The current study presents a comparative evaluation of the corrosion-sensing and the inherent corrosion inhibition performance of sol-gel-based smart coatings on Mg AZ31 alloy, using three distinct active materials such as phenolphthalein (PhPh), 8-hydroxyquinoline (8HQ), and fluorescein (FLUO). Direct incorporation of 2% PhPh in the sol-gel matrix provided early corrosion indication with moderate inhibition. However long-term performance could not be expected from this coating, as PhPh would leach out of the coating with time or degrade under sunlight. Therefore, all active materials were encapsulated within halloysite nanotube (HNT) smart containers and incorporated into the sol-gel matrix, which was subsequently applied onto Mg alloy substrate. Though the encapsulation of PhPh within HNT could not provide corrosion indication on Mg alloy due to the encapsulation under acidic condition, encapsulated 8HQ and FLUO based coatings demonstrated significant potential for corrosion sensing and inhibition. Confocal microscopy images, after 1<!-- --> <!-- -->h salt spray, revealed distinct fluorescence signals, with 8HQ (a metal ion indicator) based coating localizing its signal within scribed areas and FLUO (a pH indicator) based coating producing signals at scratch edges. FLUO exhibited superior fluorescence intensity due to its higher quantum yield when compared to 8HQ. Further, FLUO based coating achieved a higher charge transfer resistance of 1.3 ×106 Ohm·cm² when compared to 8HQ based coating (3.8 ×105 Ohm·cm²) providing better corrosion inhibition. In conclusion, while PhPh was found to be unsuitable for corrosion sensing with encapsulation into HNT, FLUO@HNT demonstrated a superior performance as both a corrosion indicator and inhibitor, outperforming 8HQ@HNT in fluorescence intensity and barrier-forming efficacy.","PeriodicalId":344,"journal":{"name":"Journal of Alloys and Compounds","volume":"70 1","pages":""},"PeriodicalIF":6.2,"publicationDate":"2025-05-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143909997","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Effects of hydrothermal temperature and coloring/bleaching voltage on the electrochromic performance of WO3","authors":"Lu Yao ,&nbsp;Lei Zhao ,&nbsp;Vladimi Gaishunr ,&nbsp;Shengfei Sun ,&nbsp;Jun Wu ,&nbsp;Cuina Yang ,&nbsp;Yuhua Zhang ,&nbsp;Zhifeng Liu","doi":"10.1016/j.jallcom.2025.180690","DOIUrl":"10.1016/j.jallcom.2025.180690","url":null,"abstract":"<div><div>Tungsten oxide (WO₃) is a promising electrochromic material for energy-efficient smart windows, yet its commercial viability is hindered by the inherent trade-off between optical contrast (ΔT) and cycling stability. Herein, by systematically tuning hydrothermal temperatures (120–180°C), the ΔT of WO₃ films reached 82.52 % and 74.6 % retention after 1000 cycles. XPS analysis reveals W⁵⁺/W⁶⁺ redox dynamics under varying voltages (-1.5 to +1.5 V), demonstrating that excessive Li⁺ injection at −1.5 V induces lattice distortion. The different coloring/bleaching voltage identified that −1.2 V was the optimal voltage balancing ΔT (73.1 %) and cycling stability (74.41 % retention after 1000 cycles), which aligns with the national standard for smart window durability. This study provides a scalable synthesis strategy to guide the design of next-generation electrochromic materials.</div></div>","PeriodicalId":344,"journal":{"name":"Journal of Alloys and Compounds","volume":"1029 ","pages":"Article 180690"},"PeriodicalIF":5.8,"publicationDate":"2025-05-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143905467","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"NiCo LDH deposited on novel LIG-derived substrates with controllable morphology for high-performance symmetric supercapacitors","authors":"Jianping Lin ,&nbsp;Peng Gao ,&nbsp;Hanqing Gao,&nbsp;Longkun Yang,&nbsp;Lei Ge,&nbsp;Xinzhi Sun","doi":"10.1016/j.jallcom.2025.180772","DOIUrl":"10.1016/j.jallcom.2025.180772","url":null,"abstract":"<div><div>The design of self-supporting materials with controllable morphology for hydrothermal substrates provides a crucial approach to fabricating electrodes with outstanding electrochemical performance. We have developed a two-stage laser scribing method for preparing iron laser-induced graphene (dFe-LIG), which is derived from a one-stage LIG (sFe-LIG). The repeated laser scribing on polyethersulfone (PES) films can improve orderliness and densification in the LIG framework. Nickel‑cobalt layered double hydroxide (NiCo-LDH) are deposited onto dFe-LIG more easily than sFe-LIG or LIG via the hydrothermal reaction, and the products are labeled as NC@dFe-LIG. A super high areal specific capacitance of NC@dFe-LIG-P12 (P12 denotes a repeated laser power is 12 W) is up to 3616 mF cm⁻² at 2 mA cm⁻², which is 130 times that of NC@sFe-LIG-P10 (only one laser power is 10 W) and 260 times of NC@LIG-P6 (only one laser power is 6 W), indicating that the superior morphology of electrode materials enhances the diffusion of electrolyte ions. SC devices have been built using two same NC@dFe-LIG electrodes for simultaneously working on the positive and negative electrodes, which have exhibited a high areal specific capacitance of 245 mF cm⁻². These outstanding electrochemical properties position dFe-LIG as a highly promising candidate for use as a substrate in synthesizing advanced electrode materials.</div></div>","PeriodicalId":344,"journal":{"name":"Journal of Alloys and Compounds","volume":"1029 ","pages":"Article 180772"},"PeriodicalIF":5.8,"publicationDate":"2025-05-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143906435","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Study on electrochemical properties of MOF-derived bi-functional CeCu heterojunction electrode materials","authors":"Ping-Ping Sun ,&nbsp;Yun-Heng Li ,&nbsp;Jia-Qi Li ,&nbsp;Lei Yuan ,&nbsp;Xin-Ran Zhang ,&nbsp;Hai-Yan Liu ,&nbsp;Ruo-Hua Guo ,&nbsp;Jia-Tong Wang","doi":"10.1016/j.jallcom.2025.180760","DOIUrl":"10.1016/j.jallcom.2025.180760","url":null,"abstract":"<div><div>The precursor method is a technique utilized for synthesizing electrode materials. This study reports the synthesis of a novel CuCe bimetallic organic skeleton using the hydrothermal technique. The compound is represented by the molecular formula [CeCu_1.5 3 L 5 H₂O]8H₂O, where L denotes pyridine-2, 5-dicarboxylic acid. As an electrode material precursor, this structure is calcined at different temperatures to obtain CuO/CeO₂ composites with in-situ composite heterostructures. Density functional theory (DFT) calculations confirm that the electrical conductivity of heterojunction materials is predominantly attributed to a single component. Additionally, the preparation conditions of heterojunction were examined. Notably, the heterojunction electrode materials prepared at 500 ℃ demonstrated superior electrochemical properties in both organic lithium-ion batteries and aqueous supercapacitors.</div></div>","PeriodicalId":344,"journal":{"name":"Journal of Alloys and Compounds","volume":"1028 ","pages":"Article 180760"},"PeriodicalIF":5.8,"publicationDate":"2025-05-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143907129","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}