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Modulation of solid solution in MgxMn1−xAl2xFe2(1−x)O4 spinel ceramics for multifunctional devices 调制 MgxMn1-xAl2xFe2(1-x)O4 尖晶石陶瓷中的固溶体以实现多功能设备
IF 3.5 3区 材料科学 Q1 MATERIALS SCIENCE, CERAMICS Pub Date : 2024-09-19 DOI: 10.1111/jace.20145
Yue Xian, Yang Zhou, Jia Chen, Wenyuan Li, Ruifeng Wu, Shuangji Feng, Aimin Chang, Bo Zhang

Solid solution modulation is an ideal method for combining the advantages of different parent compounds while mitigating their disadvantages. Here, we investigated the thermal sensitivity, magnetic properties, and microwave absorption of MgxMn1−xAl2xFe2(1−x)O4 (0.2 ≤ x ≤ 0.8) spinel solid solution ceramics for application in multifunctional devices. The electrical transport and magnetic properties can be modulated by adjusting the solution ratio. The ceramics exhibit negative temperature coefficient characteristic. The B-values from 5065–8056 K, suggesting accurate temperature measurements over a wide temperature range. As a type of soft magnetic material, it has a narrow hysteresis loop and high resistivity. Vector network analyzer studies indicate Mg0.2Mn0.8Al0.4Fe1.6O4 could be a candidate for microwave absorption in S-band. This study successfully extends the applicability of MgxMn1−xAl2xFe2(1−x)O4 ceramics for high-temperature thermistors and also confirms potential for multifunctional device.

固溶体调制是一种理想的方法,既能结合不同母体化合物的优点,又能减轻它们的缺点。在此,我们研究了 MgxMn1-xAl2xFe2(1-x)O4 (0.2 ≤ x ≤ 0.8) 尖晶石固溶体陶瓷的热敏性、磁性和微波吸收,以应用于多功能设备。通过调整溶液比例,可以调节电传输和磁特性。陶瓷呈现负温度系数特性。其 B 值范围为 5065-8056 K,表明可以在很宽的温度范围内进行精确的温度测量。作为一种软磁材料,它具有窄磁滞回线和高电阻率。矢量网络分析仪研究表明,Mg0.2Mn0.8Al0.4Fe1.6O4 可能是 S 波段微波吸收的候选材料。这项研究成功地扩展了 MgxMn1-xAl2xFe2(1-x)O4 陶瓷在高温热敏电阻中的应用,同时也证实了其在多功能器件中的潜力。
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引用次数: 0
Molecular dynamics study on structural characteristics of amorphous C-S-H with different Ca/Si ratios 不同 Ca/Si 比率的无定形 C-S-H 结构特征的分子动力学研究
IF 3.5 3区 材料科学 Q1 MATERIALS SCIENCE, CERAMICS Pub Date : 2024-09-19 DOI: 10.1111/jace.20134
Yancheng Li, Zhiheng Ding, Xingquan Wang, Xinyue Wang, Baoguo Han

As the major hydration product of cement, hydrated calcium silicate (C-S-H) governs the overall performance of cement-based materials. The molar ratio of CaO to SiO2 (Ca/Si ratio) significantly affects the structure and properties of C-S-H. This study analyzed the effect of Ca/Si ratios (0.83–2.0) on the structural morphology evolution, bond lengths and angles, polymerization process, and nanoporosity of amorphous C-S-H, with the help of the ReaxFF force field. The results showed that the reacted C-S-H tend to form a fibrous network-like morphology at low Ca/Si ratios, while the silicate chains are prone to accumulating at high Ca/Si ratios, forming a dense granular ovoid structure. Meanwhile, the Ca/Si ratio has no effect on the bond lengths and angles. In addition, the Ca2+ ions can interrupt the silicate chains during hydration, which leads to a decrease in the average silicate chain length with increasing Ca/Si ratio. The porosity of C-S-H decreases from 59.3% to 54.3% when the Ca/Si ratio increases from 0.83 to 2.0. It can be deduced from these findings that the increase in the Ca/Si ratio decreases the compressive strength of cement-based materials but increases their durability.

作为水泥的主要水化产物,水合硅酸钙(C-S-H)决定着水泥基材料的整体性能。CaO 与 SiO2 的摩尔比(Ca/Si 比)对 C-S-H 的结构和性能有很大影响。本研究借助 ReaxFF 力场分析了 Ca/Si 比(0.83-2.0)对无定形 C-S-H 结构形态演变、键长和键角、聚合过程和纳米多孔性的影响。结果表明,在低 Ca/Si 比时,反应后的 C-S-H 倾向于形成纤维网状形态,而在高 Ca/Si 比时,硅酸盐链容易聚集,形成致密的粒状卵形结构。同时,Ca/Si 比对键长和键角没有影响。此外,Ca2+ 离子会在水化过程中打断硅酸盐链,导致硅酸盐链的平均长度随着 Ca/Si 比的增加而减少。当 Ca/Si 比从 0.83 增加到 2.0 时,C-S-H 的孔隙率从 59.3% 下降到 54.3%。从这些发现中可以推断出,Ca/Si 比的增加会降低水泥基材料的抗压强度,但会提高其耐久性。
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引用次数: 0
Fabrication of BiScO3–PbTiO3/epoxy 1–3 piezoelectric composites for high-temperature transducer applications 制备用于高温传感器应用的 BiScO3-PbTiO3/epoxy 1-3 压电复合材料
IF 3.5 3区 材料科学 Q1 MATERIALS SCIENCE, CERAMICS Pub Date : 2024-09-19 DOI: 10.1111/jace.20139
Liqing Hu, Ruoqi Jin, Chenyu Qiu, Xiaodan Ren, Sanhong Wang, Zhuo Xu, Hua Tian, Xiaotian Li, Yongke Yan

1–3 piezoelectric composites are widely used in piezoelectric ultrasonic transducers due to their high thickness electromechanical coupling factor. However, the applications of the composites in high-temperature fields are limited by the low heat resistance of both the piezoelectric and polymer phases. To tackle this, we designed and fabricated the BiScO3–PbTiO3/epoxy high-temperature 1–3 piezoelectric composites. These composites exhibit a high thickness electromechanical coupling factor kt of 63%, a large piezoelectric coefficient d33 of 470 pC/N, and a pure thickness vibration mode. Furthermore, we fabricated a high-temperature transducer based on the BiScO3–PbTiO3/epoxy 1–3 composites. The bandwidths of the composites measured in water and silicone oil (30% and 23%, respectively) are approximately 1.65 times greater than those of monolithic piezoelectric ceramics (18% and 14%, respectively). The bandwidth of the transducer can be increased to 78% by adding a porous alumina backing layer, with the working temperature reaching up to 300°C. The results indicate that the BS–PT/epoxy 1–3 composite is a potential candidate for high-temperature transducer applications.

1-3 压电复合材料因其厚度机电耦合系数高而广泛应用于压电超声波传感器。然而,由于压电相和聚合物相的耐热性较低,这种复合材料在高温领域的应用受到了限制。为了解决这个问题,我们设计并制造了 BiScO3-PbTiO3/epoxy 高温 1-3 压电复合材料。这些复合材料的厚度机电耦合系数 kt 高达 63%,压电系数 d33 高达 470 pC/N,并且具有纯厚度振动模式。此外,我们还基于 BiScO3-PbTiO3/epoxy 1-3 复合材料制作了高温传感器。在水和硅油中测得的复合材料带宽(分别为 30% 和 23%)是单片压电陶瓷带宽(分别为 18% 和 14%)的约 1.65 倍。通过添加多孔氧化铝背层,传感器的带宽可提高到 78%,工作温度可达 300°C。结果表明,BS-PT/环氧 1-3 复合材料是高温传感器应用的潜在候选材料。
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引用次数: 0
Strain engineering of the structural, electronic, and optical properties of phosphorene-like ZnS ceramic nanolayers: Density functional theory study 类磷化物 ZnS 陶瓷纳米层结构、电子和光学特性的应变工程:密度泛函理论研究
IF 3.5 3区 材料科学 Q1 MATERIALS SCIENCE, CERAMICS Pub Date : 2024-09-18 DOI: 10.1111/jace.20125
Esmaeil Pakizeh, Mahnaz Mohammadi

Strain engineering is a powerful technique for controlling the performance of semiconductor ceramic systems. In this article, the effect of strain engineering, specifically biaxial compressive and tensile strains, on the bonding characteristics, structure, electronic, and optical properties of nonplanar phosphorene-like (NPP) ZnS ceramic nanolayers was investigated using density functional theory. It was observed that this ceramic exhibits greater stability under significant tensile strains. The structural stability of NPP-ZnS ceramic, both with and without biaxial strain, was confirmed by its negative formation energy. Biaxial strain strongly influences the electronic band structure of NPP-ZnS ceramic nanolayers, leading to a transformation from a direct band gap to an indirect gap under tensile strain. Additionally, the bandgap decreases under compressive strain, while it slightly increases under tensile strain. Various optical properties, including refractive index, extinction coefficient, absorption, reflectivity, optical conductivity, and optical susceptibility, were calculated. Biaxial compressive and tensile strains alter the optical properties, shifting them to higher or lower frequencies. NPP-ZnS ceramic nanolayers exhibit high optical absorption in the UV range, which can be further enhanced by biaxial strain. Furthermore, under increasing compressive strain, the absorption edge moves toward higher energies. This improvement in optical absorption expands the potential applications of NPP-ZnS ceramic nanolayers in optoelectronic devices.

应变工程是一种控制半导体陶瓷系统性能的强大技术。本文利用密度泛函理论研究了应变工程(特别是双轴压缩和拉伸应变)对非平面类磷化物(NPP)ZnS 陶瓷纳米层的键合特性、结构、电子和光学性能的影响。结果表明,这种陶瓷在显著拉伸应变下表现出更高的稳定性。NPP-ZnS 陶瓷在有双轴应变和无双轴应变情况下的结构稳定性通过其负形成能得到了证实。双轴应变强烈影响了 NPP-ZnS 纳米陶瓷的电子带结构,导致其在拉伸应变下从直接带隙转变为间接带隙。此外,带隙在压缩应变下会减小,而在拉伸应变下会略微增大。计算了各种光学特性,包括折射率、消光系数、吸收率、反射率、光导率和光感应率。双轴压缩应变和拉伸应变会改变光学特性,使其向更高或更低的频率移动。NPP-ZnS 陶瓷纳米层在紫外线范围内表现出很高的光学吸收率,双轴应变可进一步增强这种吸收率。此外,在压缩应变不断增加的情况下,吸收边缘会向更高能量移动。这种光吸收的改善扩大了 NPP-ZnS 陶瓷纳米层在光电设备中的潜在应用。
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引用次数: 0
Oxidation behaviors of yttrium silicate modified SiCf/SiC composites in air and water-oxygen environments 硅酸钇改性碳化硅/碳化硅复合材料在空气和水氧环境中的氧化行为
IF 3.5 3区 材料科学 Q1 MATERIALS SCIENCE, CERAMICS Pub Date : 2024-09-18 DOI: 10.1111/jace.20141
Fang He, Yejie Cao, Yongsheng Liu, Jingxin Li, Jing Wang, Binghui Zhang, Ning Dong

SiCf/SiC composites have emerged as one of the most promising materials for aero-engine hot-end structures. However, their performance is limited by their susceptibility to oxidation and corrosion reactions with oxygen and water vapor. To overcome this challenge, antioxidant-modified phases are introduced into matrices of SiCf/SiC composites which improve their water and oxygen resistance. In this study, the resistance of SiCf/SiC composites modified by yttrium silicate matrix (SiCf/SiC-YS composites) to air at 1000–1400°C and water-oxygen environments at 1200°C was investigated. The diffusion paths of oxygen in SiCf/SiC-YS composites and the antioxidant behavior of the yttrium silicate matrix were discussed. Additionally, the differences in oxygen and water-oxygen corrosion resistance of SiCf/SiC-YS composites at the same temperature were compared. The strength retention of SiCf/SiC-YS composites after oxidation and water-oxygen corrosion at 1200°C were 138.6% and 108.8%, respectively. This indicates that the addition of water vapor accelerated the degradation of SiCf/SiC-YS composites. By comparing with SiCf/SiC composites, it can be concluded that the modification of the yttrium silicate matrix considerably improved the oxidation resistance of SiCf/SiC composites.

碳化硅/碳化硅复合材料已成为最有前途的航空发动机热端结构材料之一。然而,由于易与氧气和水蒸气发生氧化和腐蚀反应,其性能受到了限制。为了克服这一难题,人们在碳化硅/碳化硅复合材料的基体中引入了抗氧化剂改性相,以提高其耐水和耐氧性。在本研究中,研究了硅酸钇基体改性的 SiCf/SiC 复合材料(SiCf/SiC-YS 复合材料)在 1000-1400°C 的空气环境和 1200°C 的水氧环境中的耐受性。讨论了氧在 SiCf/SiC-YS 复合材料中的扩散路径以及硅酸钇基体的抗氧化行为。此外,还比较了 SiCf/SiC-YS 复合材料在相同温度下的抗氧腐蚀性和抗水氧腐蚀性的差异。SiCf/SiC-YS 复合材料在 1200°C 氧化和水氧腐蚀后的强度保持率分别为 138.6% 和 108.8%。这表明水蒸气的加入加速了 SiCf/SiC-YS 复合材料的降解。通过与 SiCf/SiC 复合材料的比较,可以得出结论:硅酸钇基体的改性大大提高了 SiCf/SiC 复合材料的抗氧化性。
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引用次数: 0
Textured Sr2Nb2O7 ceramics: Microstructure design, high temperature ferroelectric and piezoelectric performance 纹理 Sr2Nb2O7 陶瓷:微结构设计、高温铁电和压电性能
IF 3.5 3区 材料科学 Q1 MATERIALS SCIENCE, CERAMICS Pub Date : 2024-09-18 DOI: 10.1111/jace.20120
Fenghong Shao, Chen Chen, Xiang He, Lu Wang, Muzaffar Ahmad Boda, Zhiguo Yi

Sr2Nb2O7 (SNO) ceramics are promising high-temperature piezoelectric materials due to their high Curie temperature (TC), good thermal stability, and high electrical resistivity. However, SNO presents low piezoelectric activity (d33 < 1 pC/N). Here, we successfully obtain textured SNO ceramics with an orientation factor of 0.86 by microstructure regulation. Saturated polarization-electric loop was obtained in textured ceramic with remanent polarization Pr∼3.56 µC/cm2 and coercive field EC∼53.4 kV/cm. The piezoelectric coefficient d33 of the textured SNO ceramics is increased to 3.2 pC/N, with a high TC of 1342°C, while the low-textured SNO ceramics exhibit no effective d33. Meanwhile, the piezoelectric coefficient d33 of textured SNO ceramics maintains consistency even at 1300°C, showing excellent thermal stability. The underlying mechanism driving this improvement is elucidated, emphasizing the facilitated domain-wall motion enabled by the engineered microstructure. Furthermore, textured SNO ceramics exhibit high resistivity of 1.33 × 106 Ω⋅cm at 800°C. This study presents a simple and feasible microstructure engineering approach to enhance the piezoelectric properties of layer-structured materials, offering valuable insights into the design and development of ceramics for diverse applications.

Sr2Nb2O7 (SNO) 陶瓷具有较高的居里温度 (TC)、良好的热稳定性和较高的电阻率,是一种很有前途的高温压电材料。然而,SNO 的压电活性较低(d33 < 1 pC/N)。在此,我们通过微结构调节成功获得了取向因子为 0.86 的纹理 SNO 陶瓷。在纹理陶瓷中获得了饱和极化-电回路,剩电位极化 Pr∼3.56 µC/cm2,矫顽磁场 EC∼53.4 kV/cm。纹理 SNO 陶瓷的压电系数 d33 增加到 3.2 pC/N,TC 高达 1342°C,而低纹理 SNO 陶瓷则没有有效的 d33。同时,纹理 SNO 陶瓷的压电系数 d33 即使在 1300°C 时也能保持一致,显示出卓越的热稳定性。这一改进的根本原因得到了阐明,强调了工程微结构促进了畴壁运动。此外,纹理 SNO 陶瓷在 800°C 时表现出 1.33 × 106 Ω⋅cm 的高电阻率。这项研究提出了一种简单可行的微结构工程方法来增强层状结构材料的压电特性,为设计和开发各种应用的陶瓷提供了宝贵的见解。
{"title":"Textured Sr2Nb2O7 ceramics: Microstructure design, high temperature ferroelectric and piezoelectric performance","authors":"Fenghong Shao,&nbsp;Chen Chen,&nbsp;Xiang He,&nbsp;Lu Wang,&nbsp;Muzaffar Ahmad Boda,&nbsp;Zhiguo Yi","doi":"10.1111/jace.20120","DOIUrl":"10.1111/jace.20120","url":null,"abstract":"<p>Sr<sub>2</sub>Nb<sub>2</sub>O<sub>7</sub> (SNO) ceramics are promising high-temperature piezoelectric materials due to their high Curie temperature (<i>T</i><sub>C</sub>), good thermal stability, and high electrical resistivity. However, SNO presents low piezoelectric activity (<i>d</i><sub>33</sub> &lt; 1 pC/N). Here, we successfully obtain textured SNO ceramics with an orientation factor of 0.86 by microstructure regulation. Saturated polarization-electric loop was obtained in textured ceramic with remanent polarization <i>P</i><sub>r</sub>∼3.56 µC/cm<sup>2</sup> and coercive field <i>E</i><sub>C</sub>∼53.4 kV/cm. The piezoelectric coefficient <i>d</i><sub>33</sub> of the textured SNO ceramics is increased to 3.2 pC/N, with a high <i>T</i><sub>C</sub> of 1342°C, while the low-textured SNO ceramics exhibit no effective <i>d</i><sub>33</sub>. Meanwhile, the piezoelectric coefficient <i>d</i><sub>33</sub> of textured SNO ceramics maintains consistency even at 1300°C, showing excellent thermal stability. The underlying mechanism driving this improvement is elucidated, emphasizing the facilitated domain-wall motion enabled by the engineered microstructure. Furthermore, textured SNO ceramics exhibit high resistivity of 1.33 × 10<sup>6</sup> Ω⋅cm at 800°C. This study presents a simple and feasible microstructure engineering approach to enhance the piezoelectric properties of layer-structured materials, offering valuable insights into the design and development of ceramics for diverse applications.</p>","PeriodicalId":200,"journal":{"name":"Journal of the American Ceramic Society","volume":"108 1","pages":""},"PeriodicalIF":3.5,"publicationDate":"2024-09-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142257144","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Incorporation of specific defects through ion bombardment for better ferroelectrics 通过离子轰击掺入特定缺陷以提高铁电性能
IF 3.5 3区 材料科学 Q1 MATERIALS SCIENCE, CERAMICS Pub Date : 2024-09-18 DOI: 10.1111/jace.20129
Yongshen Lu, Jinyong Zhang, Lin Ren, Weimin Wang, Fan Zhang, Zhengyi Fu

Incorporating specific defects into complex oxides facilitates the exploration of exotic phenomena and novel functionalities based on the intricate coupling between the defects and lattice/charge. However, methods for maximizing the density of specific defects while enhancing the desired properties have been rarely explored. In this study, the effect of N+ ion bombardment-driven specific defects on the properties of bismuth ferrite (BFO) thin films was investigated. Furthermore, atomic structure characterization and computational processing revealed the displacement and orientation of the Fe atoms, which are linearly related to the degree of polarization. The ion bombardment introduced deep-level trap states within the lattice, leading to a significant reduction in the leakage current and improved insulation performance of the films. By precisely engineering the defect content through N+ ion bombardment, the pure BFO thin films with remarkable and stable ferroelectric properties (remnant polarization, Pr = ∼116.8 µC·cm−2; leakage current, J = ∼1.5 × 10−8 A·cm−2) were fabricated. This innovative defect engineering-based approach enables the customization and optimization of local ferroelectric order parameters, thereby establishing a solid foundation for designing functionalities across various functional material systems.

在复杂氧化物中加入特定缺陷有助于探索奇异现象和基于缺陷与晶格/电荷之间复杂耦合的新型功能。然而,如何最大限度地提高特定缺陷的密度,同时增强所需的特性,却很少有人探索过。在本研究中,研究了 N+ 离子轰击驱动的特定缺陷对铁氧体铋(BFO)薄膜特性的影响。此外,原子结构表征和计算处理揭示了铁原子的位移和取向,这与极化程度呈线性关系。离子轰击在晶格中引入了深层陷阱态,从而显著降低了薄膜的漏电流并改善了其绝缘性能。通过 N+ 离子轰击对缺陷含量进行精确的工程设计,制备出了具有显著而稳定的铁电特性(残余极化,Pr = ∼116.8 µC-cm-2;漏电流,J = ∼1.5 × 10-8 A-cm-2)的纯 BFO 薄膜。这种基于缺陷工程的创新方法能够定制和优化局部铁电有序参数,从而为设计各种功能材料系统的功能奠定坚实的基础。
{"title":"Incorporation of specific defects through ion bombardment for better ferroelectrics","authors":"Yongshen Lu,&nbsp;Jinyong Zhang,&nbsp;Lin Ren,&nbsp;Weimin Wang,&nbsp;Fan Zhang,&nbsp;Zhengyi Fu","doi":"10.1111/jace.20129","DOIUrl":"10.1111/jace.20129","url":null,"abstract":"<p>Incorporating specific defects into complex oxides facilitates the exploration of exotic phenomena and novel functionalities based on the intricate coupling between the defects and lattice/charge. However, methods for maximizing the density of specific defects while enhancing the desired properties have been rarely explored. In this study, the effect of N<sup>+</sup> ion bombardment-driven specific defects on the properties of bismuth ferrite (BFO) thin films was investigated. Furthermore, atomic structure characterization and computational processing revealed the displacement and orientation of the Fe atoms, which are linearly related to the degree of polarization. The ion bombardment introduced deep-level trap states within the lattice, leading to a significant reduction in the leakage current and improved insulation performance of the films. By precisely engineering the defect content through N<sup>+</sup> ion bombardment, the pure BFO thin films with remarkable and stable ferroelectric properties (remnant polarization, <i>P</i><sub>r</sub> = ∼116.8 µC·cm<sup>−2</sup>; leakage current, <i>J</i> = ∼1.5 × 10<sup>−8</sup> A·cm<sup>−2</sup>) were fabricated. This innovative defect engineering-based approach enables the customization and optimization of local ferroelectric order parameters, thereby establishing a solid foundation for designing functionalities across various functional material systems.</p>","PeriodicalId":200,"journal":{"name":"Journal of the American Ceramic Society","volume":"108 1","pages":""},"PeriodicalIF":3.5,"publicationDate":"2024-09-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142257143","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Theoretical investigation on elastic property evolutions of low volume fly ash concrete 低容重粉煤灰混凝土弹性性能演变的理论研究
IF 3.5 3区 材料科学 Q1 MATERIALS SCIENCE, CERAMICS Pub Date : 2024-09-18 DOI: 10.1111/jace.20127
Yao Wang, Jinliang Liu

Toward expanding the application of fly ash in cement-based materials, this study proposes a comprehensive study on predicting the elastic properties of low-volume fly ash concrete, with the replacement levels limited to 30% or less. Unlike conventional ordinary Portland cement concrete, the inclusion of fly ash in concrete brings alterations in properties from both chemical and physical perspectives: (1) the presence of fly ash liberates the alkaline solution that consumes calcium hydroxide to generate secondary calcium silicate hydrate gels; (2) unreacted fly ash particles exhibits a refinement effect on the micropore structure and contributes to forming a denser solid matrix. In order to characterize these effects on the mechanical properties of fly ash concrete, this paper conducts qualitative assessment of hydration reactions and quantitative calculations of volumetric compounds in the material. Utilizing the Mori‒Tanaka scheme, a predictive model is then developed to integrate the hierarchical effects of constituents at multiple scales on the modulus of elasticity of low-volume fly ash concrete. The reliability of the proposed model is validated through a series of mechanical tests involving various mix designs, as well as comparison with other published test data.

为了扩大粉煤灰在水泥基材料中的应用,本研究提出了一项关于预测小体积粉煤灰混凝土弹性性能的综合研究,其替代水平限制在 30% 或以下。与传统的普通硅酸盐水泥混凝土不同,在混凝土中掺入粉煤灰会从化学和物理两个角度改变混凝土的性能:(1)粉煤灰的存在会释放出碱性溶液,消耗氢氧化钙,生成二次硅酸钙水合物凝胶;(2)未反应的粉煤灰颗粒会对微孔结构产生细化作用,有助于形成更致密的固体基质。为了描述这些对粉煤灰混凝土力学性能的影响,本文对水化反应进行了定性评估,并对材料中的体积化合物进行了定量计算。然后利用 Mori-Tanaka 方案开发了一个预测模型,以整合多种尺度的成分对低容积粉煤灰混凝土弹性模量的分层影响。通过一系列涉及各种混合设计的力学测试以及与其他已公布测试数据的比较,验证了所建议模型的可靠性。
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引用次数: 0
Rare-earth compositional screening of high-entropy diborides for improved oxidation resistance 对高熵二硼化物进行稀土成分筛选以提高其抗氧化性
IF 3.5 3区 材料科学 Q1 MATERIALS SCIENCE, CERAMICS Pub Date : 2024-09-16 DOI: 10.1111/jace.20123
Haifeng Tang, Zihao Wen, Yiwen Liu, Lei Zhuang, Hulei Yu, Yanhui Chu

Compositional screening is an important strategy to improve the oxidation resistance of high-entropy diborides (HEB2), yet the related studies are limited. Here, we report a rare-earth (RE) element compositional screening strategy to improve the oxidation resistance of HEB2. To be specific, the single-phase (Hf0.28Zr0.28Ta0.28RE0.16)B2 (HEB2-RE) samples with 12 different RE elements are fabricated via ultrafast ultrahigh-temperature synthesis and spark plasma sintering techniques, and their oxidation resistance is explored by isothermal oxidation tests. The results show that the as-obtained HEB2-Sc samples possess the best oxidation resistance among all the as-fabricated HEB2-RE samples. Such outstanding oxidation resistance is ascribed to the enhanced viscosity of the generated B2O3 glass originating from the solid solution of (Zr, Me)0.84Sc0.16O2 complex oxides, as confirmed by transmission electron microscope observations and first-principles calculations.

成分筛选是提高高熵二硼化物(HEB2)抗氧化性的重要策略,但相关研究还很有限。在此,我们报告了一种提高 HEB2 抗氧化性的稀土(RE)元素组成筛选策略。具体而言,我们通过超快超高温合成和火花等离子烧结技术制备了含有 12 种不同稀土元素的单相(Hf0.28Zr0.28Ta0.28RE0.16)B2(HEB2-RE)样品,并通过等温氧化试验探讨了它们的抗氧化性。结果表明,在所有制备好的 HEB2-RE 样品中,制备好的 HEB2-Sc 样品具有最佳的抗氧化性。透射电子显微镜观察和第一原理计算证实,这种出色的抗氧化性归因于由(Zr,Me)0.84Sc0.16O2 复合氧化物固溶体生成的 B2O3 玻璃的粘度增强。
{"title":"Rare-earth compositional screening of high-entropy diborides for improved oxidation resistance","authors":"Haifeng Tang,&nbsp;Zihao Wen,&nbsp;Yiwen Liu,&nbsp;Lei Zhuang,&nbsp;Hulei Yu,&nbsp;Yanhui Chu","doi":"10.1111/jace.20123","DOIUrl":"10.1111/jace.20123","url":null,"abstract":"<p>Compositional screening is an important strategy to improve the oxidation resistance of high-entropy diborides (HEB<sub>2</sub>), yet the related studies are limited. Here, we report a rare-earth (RE) element compositional screening strategy to improve the oxidation resistance of HEB<sub>2</sub>. To be specific, the single-phase (Hf<sub>0.28</sub>Zr<sub>0.28</sub>Ta<sub>0.28</sub>RE<sub>0.16</sub>)B<sub>2</sub> (HEB<sub>2</sub>-RE) samples with 12 different RE elements are fabricated via ultrafast ultrahigh-temperature synthesis and spark plasma sintering techniques, and their oxidation resistance is explored by isothermal oxidation tests. The results show that the as-obtained HEB<sub>2</sub>-Sc samples possess the best oxidation resistance among all the as-fabricated HEB<sub>2</sub>-RE samples. Such outstanding oxidation resistance is ascribed to the enhanced viscosity of the generated B<sub>2</sub>O<sub>3</sub> glass originating from the solid solution of (Zr, Me)<sub>0.84</sub>Sc<sub>0.16</sub>O<sub>2</sub> complex oxides, as confirmed by transmission electron microscope observations and first-principles calculations.</p>","PeriodicalId":200,"journal":{"name":"Journal of the American Ceramic Society","volume":"108 1","pages":""},"PeriodicalIF":3.5,"publicationDate":"2024-09-16","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142257194","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Phase equilibria in the system BaO–TiO2 BaO-TiO2 体系中的相平衡
IF 3.5 3区 材料科学 Q1 MATERIALS SCIENCE, CERAMICS Pub Date : 2024-09-16 DOI: 10.1111/jace.20143
Tasmia Zaman, Yue Jiang, Sajjad Seifi Mofarah, Saroj Kumar Bhattacharyya, Pramod Koshy, John E. Daniels, Charles Christopher Sorrell

The system BaO–TiO2 is technically important because it contains multiple dielectric and ferroelectric phases, including the important BaTiO3, which is one of the most widely studied dielectric perovskites owing to its dual piezoelectric and ferroelectric properties. The present work revises the subsolidus phase equilibria data by synthesizing previous phase equilibria data and new experimental results using high-temperature (600°–1300°C) and long-term (≤336 h) equilibration, coupled with analytical work based principally on room-temperature X-ray diffraction. The resultant phase diagram is given in both mole and weight percents, extending from the liquidus surface (not investigated) to absolute zero temperature (for inclusion of the previously excluded crystallographic and ferroelectric phase transformations). The major features include (1) correction of four eutectoid and three peritectoid reactions and corresponding temperatures, (2) indication of inferred partial solid solubilities, (3) clarification of the BaTiO3 solid solubility homogeneity regions, and (4) specification of some invariant point compositions on the liquidus surface.

BaO-TiO2 体系具有重要的技术意义,因为它包含多种介电相和铁电相,其中包括重要的 BaTiO3,由于具有压电和铁电双重特性,BaTiO3 是研究最广泛的介电包晶石之一。本研究综合了以前的相平衡数据和新的实验结果,利用高温(600°-1300°C)和长期(≤336 小时)平衡,以及主要基于室温 X 射线衍射的分析工作,修订了亚固相平衡数据。由此得出的相图以摩尔和重量百分数表示,从液面(未调查)一直延伸到绝对零度(包括之前排除的结晶相变和铁电相变)。主要特点包括:(1) 修正了四个共晶反应和三个包晶反应以及相应的温度;(2) 显示了推断出的部分固溶度;(3) 明确了 BaTiO3 固溶度均匀性区域;(4) 指明了液相表面上的一些不变点成分。
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引用次数: 0
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Journal of the American Ceramic Society
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