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Stress induced MnZn ferrite synthesis from pickling plant by-product of steel industry 钢铁工业酸洗副产物应力诱导合成锰锌铁氧体
IF 2.1 4区 材料科学 Q2 MATERIALS SCIENCE, CERAMICS Pub Date : 2025-06-12 DOI: 10.1007/s41779-025-01221-z
Anushri Nag, Devang Gandhi, Bhagyaraj Jayabalan, M Premkumar, Abhishek Pathak, Pavan Bijalwan, A. N. Bhagat, Manish Bhadu

MnZn ferrites synthesized from the pickling by-product powder (Fe2O3) of the steel industry by varying Zn and Mn stoichiometry. A single step solid-state synthesis process in argon atmosphere with rapid atmospheric cooling was followed to achieve structurally modified MnZn ferrite with low coercivity. Among the stoichiometric variations, Mn-rich variant exhibited a highly strained body centered tetragonal (BCT) mixed spinel structure Mn0.75Zn0.75Fe1.5O4 with Fe(Mn) octahedra distortion stabilized through the synthesis parameters. It demonstrates extremely low coercivity of 10.34 A/m i.e., 0.13 Oe, shallow hysteresis loss of 0.456 J/m3, along with high permeability and high saturation magnetization. Phase evolution studies of all the synthesized powders were done through DTA-TG and Raman spectroscopy. The crystal structures were determined and verified through XRD and TEM respectively, while the morphologies were studied using SEM. Effect of Mn incorporation was studied through first-order electronic structure calculations capturing Bohr magneton, energy per unit cell and corresponding saturation magnetization which was experimentally verified through VSM. This work outlines a critically designed single step solid state synthesis process which can stabilize a highly strained BCT structured MnZn ferrite with a particular stoichiometry making it suitable for advanced soft magnetic core application.

以钢铁工业酸洗副产物Fe2O3为原料,通过改变Zn和Mn的化学计量,合成了锰锌铁氧体。采用氩气快速冷却的单步固态合成工艺制备了低矫顽力结构改性MnZn铁氧体。其中富Mn型表现为高应变体心四边形(BCT)混合尖晶石结构Mn0.75Zn0.75Fe1.5O4,并通过合成参数稳定了Fe(Mn)八面体畸变。其矫顽力极低,为10.34 A/m,即0.13 Oe,磁滞损失浅,为0.456 J/m3,具有高磁导率和高饱和磁化强度。通过DTA-TG和拉曼光谱对合成的粉末进行了相演化研究。分别通过XRD和TEM对晶体结构进行了测定和验证,并用SEM对形貌进行了研究。通过捕获玻尔磁子的一阶电子结构计算、单位电池能量和相应的饱和磁化强度来研究Mn掺入的影响,并通过VSM进行实验验证。这项工作概述了一种精心设计的单步固态合成工艺,该工艺可以稳定具有特定化学配比的高应变BCT结构MnZn铁氧体,使其适合高级软磁磁芯应用。
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引用次数: 0
Removal of pendimethalin from aqueous samples using peanut shell biochar-Fe3O4 magnetic composite; adsorption studies, thermodynamic and kinetics 花生壳生物炭- fe3o4磁性复合材料去除水中样品中的二甲甲烷吸附研究,热力学和动力学
IF 2.1 4区 材料科学 Q2 MATERIALS SCIENCE, CERAMICS Pub Date : 2025-06-12 DOI: 10.1007/s41779-025-01217-9
Ahlam A. Alalwiat, Maaz Khan, Imran Khan, Ilyas Ahmad, Suhas Ballal, Girish Chandra Sharma, R. S. K. Sharma, Lakshay Bareja, Majed A. Bajaber

In the present study, a peanut shell biochar iron-oxide (Fe3O4) magnetic nanoparticle composite was used for the removal of pendimethalin. The adsorption of pendimethalin was studied in batches at different experimental conditions like pH, contact time, adsorbent dosage, herbicide concentration and temperature. The adsorption was found to be pH-dependent, and maximum adsorption was found at pH 2. In aqueous solution at room temperature, the adsorption data could be fitted by the Freundlich isotherm model with adsorption intensity of n = 2.0387. Time studies showed that pendimethalin uptake was 100% with shaking for 70 min. The kinetic data were analyzed using four kinetic equations; pseudo-first-order, pseudo-second-order, intraparticle diffusion. The rates of adsorption confirmed the pseudo-first-order kinetics with good correlation value (R2 = 0.8733). Thermodynamic parameters like standard enthalpy (∆H˚=10.61525 KJ/mol), Gibbs free energy (∆G˚) and standard entropy (∆S˚= 9.63593 J/mol) were calculated which indicate that the adsorption of pendimethalin is a spontaneous and endothermic process. The adsorbent could be easily regenerated with methanol. The results indicated that biochar magnetic composite could be effectively used for the removal of pendimethalin.

本研究采用花生壳生物炭氧化铁(Fe3O4)磁性纳米颗粒复合材料去除二甲甲烷。在pH、接触时间、吸附剂用量、除草剂浓度和温度等不同实验条件下,分批次研究了对二甲甲烷的吸附。吸附与pH值有关,在pH值为2时吸附量最大。在常温水溶液中,吸附数据可以用Freundlich等温模型拟合,吸附强度n = 2.0387。时间研究表明,摇晃70分钟后,戊二甲基灵的吸收率为100%。采用四种动力学方程对动力学数据进行了分析;伪一阶,伪二阶,粒子内扩散。吸附速率符合准一级动力学,具有良好的相关值(R2 = 0.8733)。计算了标准焓(∆H˚=10.61525 KJ/mol)、吉布斯自由能(∆G˚)和标准熵(∆S˚= 9.63593 J/mol)等热力学参数,表明该吸附过程为自发吸热吸附过程。该吸附剂易于用甲醇再生。结果表明,生物炭磁性复合材料可以有效地去除二甲甲烷。
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引用次数: 0
Investigation of sputtering conditions and thermal annealing on formation of Ti-Al-C coating for MAX phase synthesis 制备MAX相的Ti-Al-C涂层的溅射条件及热处理研究
IF 2.1 4区 材料科学 Q2 MATERIALS SCIENCE, CERAMICS Pub Date : 2025-06-10 DOI: 10.1007/s41779-025-01216-w
Zahra Mahmoudi, Seyed Hadi Tabaian, Farzad Mahboubi, Hamid Reza Rezaie

This study investigated the influence of target composition, reactive gas concentration, and annealing temperature on the formation of the MAX phase in coatings deposited by reactive D.C. magnetron sputtering and subsequent annealing. For this aim, Ti-Al-C coatings were deposited using two different Ti-Al alloy targets with atomic ratios of (1:1) and (1:2) in a CH4/Ar mixture atmosphere with various ratios (1/20, 1/10) at room temperature. The coatings were then annealed in a vacuum furnace at 800 °C and 1000 °C. XRD analysis showed that the MAX phase could not form in the coating produced by the 1Ti-1Al target due to insufficient aluminum content, resulting in the Ti3AlC phase with a perovskite cubic crystal structure. Conversely, the 1Ti-2Al target produced coatings containing the gamma TiAl phase with a tetragonal structure and the Ti2AlC MAX phase with a hexagonal layered structure. Increasing the concentration of CH4 gas led to the formation of more MAX phase as a result of the transformation of the gamma TiAl phase into the Ti2AlC MAX phase. Microstructure characterization showed that the coating was compact, dense, and without cracks or porosity. Nano-indentation and Nano-scratch analysis determined the elastic modulus of 73–77 GPa, hardness of 6.5–7.5 GPa, and friction coefficient of 0.2–0.3 for the coating with the highest amount of Ti2AlC MAX phase produced by sputtering of the 1Ti-2Al target in a CH4/Ar atmosphere with a 1/10 ratio and annealing at 800 °C.

本研究考察了靶成分、反应气体浓度和退火温度对反应直流磁控溅射涂层中MAX相形成和退火的影响。为此,采用原子比为(1:1)和(1:2)的两种不同的Ti-Al- c靶材,在不同比例(1/ 20,1 /10)的CH4/Ar混合气氛中,在室温下沉积Ti-Al- c涂层。然后将涂层在800℃和1000℃的真空炉中退火。XRD分析表明,由于铝含量不足,在1Ti-1Al靶材制备的涂层中无法形成MAX相,导致Ti3AlC相具有钙钛矿型立方晶体结构。相反,1Ti-2Al靶材产生的涂层包含具有四方结构的γ TiAl相和具有六边形层状结构的Ti2AlC MAX相。CH4气体浓度的增加导致γ TiAl相向Ti2AlC MAX相转变,形成更多的MAX相。显微组织表征表明,涂层致密致密,无裂纹和孔隙。通过纳米压痕和纳米划痕分析,在CH4/Ar气氛中以1/10的比例溅射1Ti-2Al靶材,并在800℃下退火,得到了Ti2AlC MAX相含量最高的涂层,其弹性模量为73 ~ 77 GPa,硬度为6.5 ~ 7.5 GPa,摩擦系数为0.2 ~ 0.3。
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引用次数: 0
Advancements in dental implant design: addressing current challenges and exploring future opportunities 牙种植体设计的进步:解决当前的挑战和探索未来的机会
IF 2.1 4区 材料科学 Q2 MATERIALS SCIENCE, CERAMICS Pub Date : 2025-06-04 DOI: 10.1007/s41779-025-01218-8
Ashkan Farazin, Seyedeh Farnaz Darghiasi

The prevalence of implants in the medical field has risen steadily, serving as a viable option for the substitution or reinforcement of impaired body parts across a range of medical disciplines, such as orthopedics and dentistry. Despite progress in methods and the technology used for implants, the issue of implant failure continues to be a noteworthy apprehension. This extensive examination seeks to present a summary of implant materials, the implant manufacturing process, factors influencing implant failure, and the ensuing clinical repercussions. The review delves into various types of implant failures, encompassing biological concerns like infections and complications associated with soft tissues, along with their root causes. Furthermore, it outlines various approaches for addressing implant failures and sheds light on the challenges healthcare professionals encounter in managing these situations. The review’s concluding observations underscore the need for greater study to understand the underlying causes of implant failure and develop preventative interventions. It emphasizes the necessity of collaboration among medical professionals, engineers, and researchers in improving patient well-being and increasing the efficacy of implant treatments.

Not applicable.

植入物在医疗领域的普及程度稳步上升,在骨科和牙科等一系列医学学科中,作为替代或强化受损身体部位的可行选择。尽管种植体的方法和技术有所进步,但种植体失败的问题仍然是一个值得关注的问题。这项广泛的检查旨在总结种植体材料、种植体制造过程、影响种植体失败的因素以及随后的临床影响。这篇综述深入研究了各种类型的植入失败,包括与软组织相关的感染和并发症等生物学问题,以及它们的根本原因。此外,它概述了解决植入失败的各种方法,并阐明了医疗保健专业人员在管理这些情况时遇到的挑战。该综述的结论性观察强调需要进行更多的研究,以了解种植体失败的潜在原因并制定预防性干预措施。它强调了医疗专业人员、工程师和研究人员在改善患者福祉和提高植入治疗效果方面合作的必要性。不适用。
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引用次数: 0
Characterization of glass–ceramic tiles utilizing rice husk ash and waste glass powder as a flux 以稻壳灰和废玻璃粉为助熔剂的玻璃陶瓷砖的表征
IF 2.1 4区 材料科学 Q2 MATERIALS SCIENCE, CERAMICS Pub Date : 2025-06-04 DOI: 10.1007/s41779-025-01207-x
Sonjida Mustafi, Abu Yousuf, Nigar Sultana Pinky, R. Khanom, Mashrafi Bin Mobarak, Mohammad Nashir Uddin

This study investigates the development and characterization of glass–ceramic tiles (GC tiles) produced from a mixture of raw materials such as rice husk ash (RHA), waste glass powder (WGP), potassium-feldspar (K-feldspar) and several fluxes in trace amounts. The raw materials were melted at 1170 °C to form a glass frit, which was subjected to ground into fine powder. The powder was moistened with 7–8% water and sodium silicate to prepare the green tiles. The tiles were sintered at temperatures between 810 °C and 1110 °C. This one-hour heating process allowed the glass to densify and form the desired crystal phases. The physical, chemical, and mechanical properties of GC tiles were observed using WD-XRF, XRD, SEM and UTM analyses. Linear shrinkage (13.84% at 810 °C to 11% at 1110 °C) and water absorption (2.2% to 0.02%) decreased with increasing temperature. Bulk density peaked at 950 °C, while modulus of rupture peaked at 925 °C. Glossiness reached a maximum of 55% at 950 °C. Crystalline phases of wollastonite and mullite were identified from XRD data, and a uniform microstructure with dispersed crystals in a glassy matrix was observed at 925 °C.

本研究以稻壳灰(RHA)、废玻璃粉(WGP)、钾长石(k -长石)和几种微量助熔剂为原料,研究了玻璃陶瓷砖(GC砖)的开发和表征。原料在1170℃下熔化形成玻璃熔块,研磨成细粉。将粉末用7-8%的水和水玻璃浸湿,制备绿瓦。烧结温度在810 ~ 1110℃之间。这一小时的加热过程使玻璃致密并形成所需的晶体相。采用XRD、XRD、SEM和UTM等分析手段对GC砖的物理、化学和力学性能进行了观察。线性收缩率(810℃时为13.84%,1110℃时为11%)和吸水率(2.2% ~ 0.02%)随温度升高而降低。体积密度在950℃时达到峰值,而断裂模量在925℃时达到峰值。在950℃时光泽度达到最大55%。XRD分析了硅灰石和莫来石的晶相,在925℃下,硅灰石和莫来石的晶体结构均匀,晶体分散在玻璃状基体中。
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引用次数: 0
Structural, electrical, and magnetic properties of (1-x) ZnFe2O4 - (x) BaTiO3 (x = 0,0.05,0.10,1) system (1-x) ZnFe2O4 - (x) BaTiO3 (x = 0,0.05,0.10,1)体系的结构、电学和磁性能
IF 2.1 4区 材料科学 Q2 MATERIALS SCIENCE, CERAMICS Pub Date : 2025-06-03 DOI: 10.1007/s41779-025-01219-7
Harshpreet Cheema, Parvej Ahmad Alvi, Jaidev Tanwar, Pallavi Kushwaha, S. N. Jha, Shilpa Tripathi, Upendra Kumar

The structural, electrical, and magnetic properties of (1-x) ZnFe2O4 - (x) BaTiO3 (x = 0, 0.05, 0.10, 1) were systematically studied. Samples were synthesized using the sol-gel auto-combustion method for x = 0 and the conventional ceramic route for x = 0.05, 0.10, and 1. Phase formation was confirmed via X-ray diffraction (XRD), while Raman spectroscopy provided insights into vibrational and rotational modes. Field-emission scanning electron microscopy (FESEM) was used to analyze morphology. X-ray photoelectron spectroscopy (XPS) verified the oxidation states of Ti, Fe, and O, confirming the presence of Ti and Fe in multivalent states. Electrical studies revealed negative permittivity in Zinc ferrite-containing samples, well-explained by Drude-Lorentz theory. Magnetic properties were investigated through temperature-dependent magnetization measurements in ZFCW, FCC, and FCW modes, while M-H loops provided insights into saturation magnetization (Ms), remanence (Mr), and coercivity (Hc), all of which increased with decreasing temperature. These findings highlight the potential of these metamaterials for electromagnetic interference (EMI) shielding and coil-less inductor applications.

系统地研究了(1-x) ZnFe2O4 - (x) BaTiO3 (x = 0,0.05, 0.10, 1)的结构、电学和磁性能。x = 0时采用溶胶-凝胶自燃烧法合成样品,x = 0.05、0.10、1时采用传统陶瓷法合成样品。通过x射线衍射(XRD)确认了相的形成,而拉曼光谱则提供了振动和旋转模式的见解。采用场发射扫描电镜(FESEM)对其形貌进行分析。x射线光电子能谱(XPS)验证了Ti、Fe和O的氧化态,证实了Ti和Fe以多价态存在。电学研究揭示了含铁酸锌样品的负介电常数,德鲁德-洛伦兹理论很好地解释了这一点。通过ZFCW、FCC和FCW模式下的温度相关磁化测量,研究了磁性能,而M-H环提供了饱和磁化强度(Ms)、剩磁强度(Mr)和矫顽力(Hc),所有这些都随着温度的降低而增加。这些发现突出了这些超材料在电磁干扰(EMI)屏蔽和无线圈电感应用方面的潜力。
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引用次数: 0
Morphological and chemical properties of calcined fish bones (Carassius Gibelio and Esox lucius) for biomaterial applications 煅烧鱼骨(Carassius Gibelio和Esox lucius)的形态和化学性质及其在生物材料中的应用
IF 2.1 4区 材料科学 Q2 MATERIALS SCIENCE, CERAMICS Pub Date : 2025-06-02 DOI: 10.1007/s41779-025-01220-0
Esengül Köse, Seda Hoşgün, Özgür Emiroğlu, Sadi Aksu, Emre Çinar, Mustafa Özgür Öteyaka

Carassius gibelio (Cg), an omnivorous invasive species in European and Turkish waters, originated in Asia and spread to Europe in the 17th century. In contrast, the carnivorous Esox lucius (El) (northern pike) inhabits rivers, lakes, and brackish waters across the Northern Hemisphere. Utilizing these species as biomaterials can supports waste management and biocompatible material synthesis. In this study, the morphological and chemical characteristics of calcined fish bone powders from different anatomical parts, including head bone (HEB), otolith bone (OTB), operculum bone (OPB), and spine bone (SPB), were systematically investigated. The particle size distribution analysis revealed that Cg-HEB exhibited the smallest particle size (53.91 μm), whereas El-OTB had the largest (431.54 μm). Morphological analysis confirmed a predominant rod-shaped structure for both Cg and El samples, except for El-OTB, which exhibited a distinct morphology. X-ray diffraction (XRD) analysis confirmed hydroxyapatite (HA) as the primary crystalline phase in all samples, accompanied by the presence of β-tricalcium phosphate (β-TCP). Fourier transform infrared (FTIR) spectroscopy further validated the presence of phosphate (PO₄³⁻) bands at 1030–1100 cm⁻¹ and 560–600 cm⁻¹, reinforcing HA as the dominant phase. The Ca/P ratio analysis indicated that Cg-SPB had a slightly lower ratio (0.07 less) than the stoichiometric Ca/P ratio of human bone, suggesting an increased β-TCP content. Conversely, El samples generally exhibited lower Ca/P ratios compared to Cg samples. These findings emphasis the potential of fish bone-derived materials for biomedical, particularly in bone tissue engineering.

异种鱼(Carassius gibelio, Cg)是欧洲和土耳其水域的一种杂食性入侵物种,起源于亚洲,并于17世纪传播到欧洲。相比之下,肉食性梭子鱼生活在北半球的河流、湖泊和咸淡水中。利用这些物种作为生物材料可以支持废物管理和生物相容性材料的合成。本研究系统地研究了鱼头骨(HEB)、耳石骨(OTB)、鱼盖骨(OPB)和脊椎骨(SPB)等不同解剖部位的煅烧鱼骨粉的形态和化学特征。粒径分布分析表明,Cg-HEB的粒径最小(53.91 μm), El-OTB的粒径最大(431.54 μm)。形态分析证实了Cg和El样品的主要棒状结构,除了El- otb,它表现出不同的形态。x射线衍射(XRD)分析证实,所有样品的主要晶相为羟基磷灰石(HA),并伴有β-磷酸三钙(β-TCP)的存在。傅里叶变换红外光谱(FTIR)进一步证实了在1030-1100厘米和560-600厘米的范围内存在磷酸(PO₄³)毒带,加强了HA作为主要相的作用。Ca/P比值分析表明,Cg-SPB的Ca/P比值略低于人骨的化学计量Ca/P比值(小于0.07),表明β-TCP含量增加。相反,与Cg样品相比,El样品通常具有较低的Ca/P比率。这些发现强调了鱼骨衍生材料在生物医学,特别是骨组织工程方面的潜力。
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引用次数: 0
Enhanced fracture toughness by α-alumina platelets in alumina composites net shaped by gelcasting into RPT molds α-氧化铝复合材料网中α-氧化铝片经RPT模具凝胶浇注后,增强了其断裂韧性
IF 2.1 4区 材料科学 Q2 MATERIALS SCIENCE, CERAMICS Pub Date : 2025-05-30 DOI: 10.1007/s41779-025-01210-2
Jeevankumar Pallagani, Poly Rose, Rajanikanth Ammanabrolu, Seshu Bai Vummethala, Rajasekharan Thankappan Pillai

The present work discusses novel alumina composites with single crystalline α-alumina platelets as reinforcement, fabricated by integrating gelcasting with rapid prototyping technique. Commonly used alumina fibre reinforced composites, though exhibit high fracture toughness, show limitation for use at high temperatures, due to structural transformation and recrystallization of the fibres, and for net-shaping into intricate geometries. Present work addresses these constraints by choosing α-alumina platelets of approximately 150 ± 25 nm thickness as reinforcement, and gelcasting process for shape-forming the composites. A free-flowing ceramic slurry having uniform distribution of monazite (LaPO4)-coated platelets was cast and gelled in disposable expanded polystyrene (EPS) molds that are machined as per the computer aided design (CAD). The green bodies are dried, debindered and sintered to obtain compacts of alumina composites with different amounts of platelet alumina (0 to 25 wt%) and are characterized. Compared to monolithic alumina, a notable enhancement (by 80%) to 5.4 MPa(:surd:m) in fracture toughness was observed, while maintaining a flexural strength of 310 MPa, in the composite with 4 wt% platelet content. Microstructural studies reveal deflection, bridging, and branching of the cracks caused by the coated platelets and provide evidence for their contribution to improved fracture toughness. The optimized composites have the potential for use in biomedical sector. They are particularly suitable for high-temperature applications, furthermore, α-alumina platelets possess superior thermal stability at elevated temperatures compared to alumina fibres and exhibit excellent oxidation resistance, unlike carbon fibres. These attributes ensure their structural integrity under extreme conditions, making them highly effective as reinforcements for high-temperature applications where both mechanical performance and environmental durability are critical. The present process is inexpensive and enables manufacturing of complex geometries, making it attractive for adoption by industries.

本文讨论了以单晶α-氧化铝片为增强层的新型氧化铝复合材料,该复合材料采用凝胶铸造和快速成型技术相结合的方法制备。常用的氧化铝纤维增强复合材料虽然具有高断裂韧性,但由于纤维的结构转变和再结晶,以及复杂几何形状的净成形,在高温下使用受到限制。目前的研究通过选择厚度约为150±25 nm的α-氧化铝薄片作为增强材料,并采用凝胶铸造工艺形成复合材料的形状,解决了这些限制。自由流动的陶瓷浆料具有均匀分布的单氮石(LaPO4)涂层薄片,在一次性膨胀聚苯乙烯(EPS)模具中铸造和凝胶化,该模具按照计算机辅助设计(CAD)进行加工。将青体干燥、脱脂和烧结,以获得具有不同数量的血小板氧化铝(0至25wt)的氧化铝复合材料的压实物%) and are characterized. Compared to monolithic alumina, a notable enhancement (by 80%) to 5.4 MPa(:surd:m) in fracture toughness was observed, while maintaining a flexural strength of 310 MPa, in the composite with 4 wt% platelet content. Microstructural studies reveal deflection, bridging, and branching of the cracks caused by the coated platelets and provide evidence for their contribution to improved fracture toughness. The optimized composites have the potential for use in biomedical sector. They are particularly suitable for high-temperature applications, furthermore, α-alumina platelets possess superior thermal stability at elevated temperatures compared to alumina fibres and exhibit excellent oxidation resistance, unlike carbon fibres. These attributes ensure their structural integrity under extreme conditions, making them highly effective as reinforcements for high-temperature applications where both mechanical performance and environmental durability are critical. The present process is inexpensive and enables manufacturing of complex geometries, making it attractive for adoption by industries.
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引用次数: 0
Impact of different additives on the microstructure and relative density of (Zr1-2xHfxTix)B2 solid solution 不同添加剂对(Zr1-2xHfxTix)B2固溶体组织和相对密度的影响
IF 2.1 4区 材料科学 Q2 MATERIALS SCIENCE, CERAMICS Pub Date : 2025-05-28 DOI: 10.1007/s41779-025-01212-0
Abbas Jahanbakhsh, Zohre Balak, Hosein Kafashan, Mahdi Azizieh

In this study (Zr1-2 × Hfx Tix) B2 ultra-high temperature ceramic (UHTCs) matrix composites were fabricated and reinforced with various additives (SiC, Si-Gr, Si-CNT) through spark plasma sintering (SPS) at 2000 °C, 40 MPa, for 10 min. The research investigates the impact of different reinforcement types on densification behavior, microstructure, and solid solution formation. Relative density measurements were conducted using the Archimedes method, while microstructural analysis and phase identification were performed using FE-SEM and XRD respectively. The findings revealed that the highest level of densification was achieved in (Zr1-2 × Hfx Tix) B2 samples reinforced with Si–C and Si-CNT, with relative densities of 98.2% and 95.8%, respectively, while the lowest densification was observed in the SiC-reinforced sample, denoted as HZTSiC. XRD analysis indicated the formation of new peaks distinct from the initial powders, corresponding to B4Si, HfSiO4, TiB2 and solid solution phases. It was observed that Ti and Hf diffused and dissolved into the ZrB2 lattices, resulting in the formation of (Zr1-2 × Hfx Tix) B2 solid solutions. The lowest level of oxide impurity (3.7 wt%) and the highest proportion of solid solution phases (88.7 wt%) were observed in (Zr1-2 × Hfx Tix) B2 containing Si-Gr.

Graphical Abstract

在2000℃,40 MPa, 10 min的放电等离子烧结条件下,制备了(Zr1-2 × Hfx - Tix) B2超高温陶瓷(UHTCs)基复合材料,并添加了各种添加剂(SiC, Si-Gr, Si-CNT)。研究了不同增强类型对致密化行为、微观组织和固溶体形成的影响。采用阿基米德法测定相对密度,采用FE-SEM和XRD进行微观结构分析和物相鉴定。结果表明,Si-C和Si-CNT增强(Zr1-2 × Hfx Tix) B2样品的致密化程度最高,相对密度分别为98.2%和95.8%,而sic增强样品(HZTSiC)的致密化程度最低。XRD分析表明,粉末形成了与初始粉末不同的新峰,分别为B4Si、HfSiO4、TiB2和固溶体相。观察到Ti和Hf在ZrB2晶格中扩散溶解,形成(Zr1-2 × Hfx Tix) B2固溶体。含Si-Gr的(Zr1-2 × Hfx Tix) B2中氧化物杂质含量最低(3.7 wt%),固溶相比例最高(88.7 wt%)。图形抽象
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引用次数: 0
Phase structure prediction of high-entropy carbide ceramics based on two-stage data enhancement 基于两级数据增强的高熵碳化物陶瓷相结构预测
IF 2.1 4区 材料科学 Q2 MATERIALS SCIENCE, CERAMICS Pub Date : 2025-05-27 DOI: 10.1007/s41779-025-01204-0
Huaizhi Zhang, Wenwen Lin, Lu Ren, Wei Xiang, Yuejun Zhang, Lizhong Zhan

Predicting phase structures is crucial for the discovery and design of high-performance High Entropy Carbide Ceramics (HECCs). Data-driven approaches are increasingly popular in materials science. However, these methods heavily rely on dataset size. To tackle this, we propose a two-step data enhancement method using Auxiliary Enhanced-Least Squares Generative Adversarial Networks—Tree-structured Parzen Estimator—Multilayer Perceptron (AE-LSGAN-TPE-MLP). The method improves model stability and data quality by adding auxiliary generator and discriminator networks that operate alongside the primary ones in the LSGAN framework. Additionally, data enhancement occurs in two steps to further ensure data quality. In the first step, feature enhancement is performed using a label-guided feature separation strategy. Features corresponding to different label categories are separated, and the AE-LSGAN model is trained independently for each category to generate realistic feature data. In the second step, pseudo-labels for augmented features are predicted. An MLP model is pre-trained on 50% of the dataset, and the generated features are used as input to predict pseudo-labels. Finally, the augmented dataset is merged with the training set, and a TPE-MLP model is built for prediction. Comparative results show that the proposed method significantly improves model performance, achieving 0.9629 accuracy on a test set comprising 50% of the dataset. Moreover, three HECCs were synthesized through experiments, further validating the model's accuracy. Finally, an interpretability analysis of the model was performed, with the shapley additive explanations (SHAP) summary plot revealing that σχ and σV were the paramount influencers of HECCs' phase structures. Notably, when σχ and σV were below 0.079 and 0.125, single-phase HECCs were more likely to be formed. This work is expected to facilitate the discovery and design of HECCs with bespoke phase structures and properties.

预测相结构对于高性能高熵碳化物陶瓷(HECCs)的发现和设计至关重要。数据驱动的方法在材料科学中越来越受欢迎。然而,这些方法严重依赖于数据集的大小。为了解决这个问题,我们提出了一种使用辅助增强-最小二乘生成对抗网络-树结构Parzen估计器-多层感知器(AE-LSGAN-TPE-MLP)的两步数据增强方法。该方法通过在LSGAN框架中添加与主网络一起运行的辅助生成器和鉴别器网络,提高了模型的稳定性和数据质量。此外,数据增强分两个步骤进行,以进一步确保数据质量。在第一步中,使用标签引导的特征分离策略进行特征增强。将不同标签类别对应的特征分离,针对每个类别独立训练AE-LSGAN模型,生成真实的特征数据。第二步,预测增强特征的伪标签。在50%的数据集上预训练MLP模型,并将生成的特征用作预测伪标签的输入。最后,将增强数据集与训练集合并,建立TPE-MLP模型进行预测。对比结果表明,该方法显著提高了模型性能,在包含50%数据集的测试集上,准确率达到0.9629。通过实验合成了3个hecc,进一步验证了模型的准确性。最后,对模型进行了可解释性分析,shapley加性解释(SHAP)总结图显示,σχ和σV是影响hecc相结构的最重要因素。值得注意的是,当σχ和σV分别低于0.079和0.125时,单相hecc更容易形成。这项工作有望促进具有定制相结构和性质的hecc的发现和设计。
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Journal of the Australian Ceramic Society
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