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Metal-to-insulator transitions in 3d-band correlated oxides containing Fe compositions 含铁成分的 3d 带相关氧化物中的金属-绝缘体转变
IF 2.232 2区 材料科学 Q2 MATERIALS SCIENCE, MULTIDISCIPLINARY Pub Date : 2024-01-26 DOI: 10.1007/s12613-023-2712-8
Yiping Yu, Yuchen Cui, Jiangang He, Wei Mao, Jikun Chen

Metal-to-insulator transitions (MITs), which are achieved in 3d-band correlated transitional metal oxides, trigger abrupt variations in electrical, optical, and/or magnetic properties beyond those of conventional semiconductors. Among such material families, iron (Fe: 3d64s2)-containing oxides pique interest owing to their widely tunable MIT properties, which are associated with the various valence states of Fe. Their potential electronic applications also show promise, given the large abundance of Fe on Earth. Representative MIT properties triggered by critical temperature (TMIT) were reported for ReFe2O4 (Fe2.5+), ReBaFe2O5 (Fe2.5+), Fe3O4 (Fe2.67+), Re1/3Sr2/3FeO3 (Fe3.67+), ReCu3Fe4O12 (Fe3.75+), and Ca1−xSrxFeO3 (Fe4+) (where Re represents rare-earth elements). The common feature of MITs of these Fe-containing oxides is that they are usually accompanied by charge ordering transitions or disproportionation associated with the valence states of Fe. Herein, we review the material family of Fe-containing MIT oxides, their MIT functionalities, and their respective mechanisms. From the perspective of potentially correlated electronic applications, the tunability of the TMIT and its resultant resistive change in Fe-containing oxides are summarized and further compared with those of other materials exhibiting MIT functionality. In particular, we highlight the abrupt MIT and wide tunability of TMIT of Fe-containing quadruple perovskites, such as ReCu3Fe4O12. However, their effective material synthesis still needs to be further explored to cater to potential applications.

在 3d 带相关的过渡金属氧化物中实现的金属到绝缘体的转变(MIT)会引发电学、光学和/或磁学特性的突然变化,超越传统半导体的特性。在这些材料家族中,含铁(Fe:3d64s2)的氧化物因其广泛可调的 MIT 特性而备受关注,这些特性与铁的各种价态有关。鉴于地球上铁的大量存在,它们的潜在电子应用也大有可为。据报道,ReFe2O4 (Fe2.5+)、ReBaFe2O5 (Fe2.5+)、Fe3O4 (Fe2.67+)、Re1/3Sr2/3FeO3 (Fe3.67+)、ReCu3Fe4O12 (Fe3.75+) 和 Ca1-xSrxFeO3 (Fe4+)(其中 Re 代表稀土元素)具有由临界温度(TMIT)触发的代表性 MIT 特性。这些含铁氧化物的 MITs 的共同特点是通常伴随着与铁价态相关的电荷有序转变或歧化。在此,我们回顾了含铁 MIT 氧化物的材料家族、它们的 MIT 功能及其各自的机制。从潜在相关电子应用的角度出发,我们总结了含铁氧化物中 TMIT 的可调谐性及其导致的电阻变化,并进一步将其与其他具有 MIT 功能的材料进行了比较。我们特别强调了含铁四元过氧化物(如 ReCu3Fe4O12)的突然 MIT 和 TMIT 的广泛可调性。然而,它们的有效材料合成仍有待进一步探索,以满足潜在的应用需求。
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引用次数: 0
Precise regulation of the phase transformation for pyrolusite during the reduction roasting process 在还原焙烧过程中对辉绿岩相变的精确调节
IF 2.232 2区 材料科学 Q2 MATERIALS SCIENCE, MULTIDISCIPLINARY Pub Date : 2024-01-26 DOI: 10.1007/s12613-023-2688-4
Ruofeng Wang, Peng Gao, Shuai Yuan, Yanjun Li, Yingzhi Liu, Cheng Huang

The mechanism involved in the phase transformation process of pyrolusite (MnO2) during roasting in a reducing atmosphere was systematically elucidated in this study, with the aim of effectively using low-grade complex manganese ore resources. According to single-factor experiment results, the roasted product with a divalent manganese (Mn2+) distribution rate of 95.30% was obtained at a roasting time of 25 min, a roasting temperature of 700°C, a CO concentration of 20at%, and a total gas volume of 500 mL·min−1, in which the manganese was mainly in the form of manganosite (MnO). Scanning electron microscopy and Brunauer–Emmett–Teller theory demonstrated the microstructural evolution of the roasted product and the gradual reduction in the pyrolusite ore from the surface to the core. Thermodynamic calculations, X-ray photoelectron spectroscopy, and X-ray diffractometry analyses determined that the phase transformation of pyrolusite followed the order of MnO2→Mn2O3→Mn3O4→MnO phase by phase, and the reduction of manganese oxides in each valence state proceeded simultaneously.

该研究系统地阐明了还原气氛中焙烧辉绿岩(MnO2)相变过程的机理,旨在有效利用低品位复合锰矿资源。单因素实验结果表明,在焙烧时间为 25 分钟、焙烧温度为 700℃、CO 浓度为 20%、总气量为 500 mL-min-1 的条件下,焙烧产物的二价锰(Mn2+)分布率为 95.30%,其中的锰主要以锰矿石(MnO)的形式存在。扫描电子显微镜和布鲁瑙尔-埃美特-泰勒理论证明了焙烧产物的微观结构演变,以及辉绿岩矿石从表面到核心的逐渐减少。热力学计算、X 射线光电子能谱和 X 射线衍射分析确定,辉绿岩的相变遵循 MnO2→Mn2O3→Mn3O4→MnO 的顺序逐相进行,各价态锰氧化物的还原同时进行。
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引用次数: 0
High corrosion and wear resistant electroless Ni-P gradient coatings on aviation aluminum alloy parts 航空铝合金部件上的高耐腐蚀和耐磨损化学镍-P 梯度涂层
IF 2.232 2区 材料科学 Q2 MATERIALS SCIENCE, MULTIDISCIPLINARY Pub Date : 2024-01-26 DOI: 10.1007/s12613-023-2689-3
Bo Wang, Jiawei Li, Zhihui Xie, Gengjie Wang, Gang Yu

A Ni-P alloy gradient coating consisting of multiple electroless Ni-P layers with various phosphorus contents was prepared on the aviation aluminum alloy. Several characterization and electrochemical techniques were used to characterize the different Ni-P coatings’ morphologies, phase structures, elemental compositions, and corrosion protection. The gradient coating showed good adhesion and high corrosion and wear resistance, enabling the application of aluminum alloy in harsh environments. The results showed that the double zinc immersion was vital in obtaining excellent adhesion (81.2 N). The optimal coating was not peeled and shredded even after bending tests with angles higher than 90° and was not corroded visually after 500 h of neutral salt spray test at 35°C. The high corrosion resistance was attributed to the misaligning of these micro defects in the three different nickel alloy layers and the amorphous structure of the high P content in the outer layer. These findings guide the exploration of functional gradient coatings that meet the high application requirement of aluminum alloy parts in complicated and harsh aviation environments.

在航空铝合金上制备了由多个不同磷含量的化学镍-P 涂层组成的镍-P 合金梯度涂层。研究人员采用了多种表征和电化学技术来表征不同 Ni-P 涂层的形貌、相结构、元素组成和腐蚀保护性能。梯度涂层显示出良好的附着力和较高的耐腐蚀性和耐磨性,使铝合金能够应用于恶劣的环境中。结果表明,双锌浸泡对获得优异的附着力(81.2 N)至关重要。即使在角度大于 90° 的弯曲测试中,最佳涂层也没有剥落和碎裂,在 35°C 下进行 500 小时的中性盐雾测试后,目测也没有腐蚀。高耐腐蚀性归因于三个不同镍合金层中这些微缺陷的错位以及外层高 P 含量的非晶态结构。这些发现为探索功能梯度涂层提供了指导,以满足铝合金零件在复杂恶劣航空环境中的高应用要求。
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引用次数: 0
Preparation of sodium molybdate from molybdenum concentrate by microwave roasting and alkali leaching 用微波焙烧和碱浸出法从钼精矿制备钼酸钠
IF 2.232 2区 材料科学 Q2 MATERIALS SCIENCE, MULTIDISCIPLINARY Pub Date : 2024-01-26 DOI: 10.1007/s12613-023-2727-1
Fengjuan Zhang, Chenhui Liu, Srinivasakannan Chandrasekar, Yingwei Li, Fuchang Xu

The preparation process of sodium molybdate has the disadvantages of high energy consumption, low thermal efficiency, and high raw material requirement of molybdenum trioxide, in order to realize the green and efficient development of molybdenum concentrate resources, this paper proposes a new process for efficient recovery of molybdenum from molybdenum concentrate and preparation of sodium molybdate by microwave-enhanced roasting and alkali leaching. Thermodynamic analysis indicated the feasibility of oxidation roasting of molybdenum concentrate. The effects of roasting temperature, holding time, and power-to-mass ratio on the oxidation product and leaching product sodium molybdate (Na2MoO4·2H2O) were investigated. Under the optimal process conditions: roasting temperature of 700°C, holding time of 110 min, and power-to-mass ratio of 110 W/g, the molybdenum state of existence was converted from MoS2 to MoO3. The process of preparing sodium molybdate by alkali leaching of molybdenum calcine was investigated, the optimal leaching conditions include a solution concentration of 2.5 mol/L, a liquid-to-solid ratio of 2 mL/g, a leaching temperature of 60°C, and leaching solution termination at pH 8. The optimum conditions result in a leaching rate of sodium molybdate of 96.24%. Meanwhile, the content of sodium molybdate reaches 94.08wt% after leaching and removing impurities. Iron and aluminum impurities can be effectively separated by adjusting the pH of the leaching solution with sodium carbonate solution. This research avoids the shortcomings of the traditional process and utilizes the advantages of microwave metallurgy to prepare high-quality sodium molybdate, which provides a new idea for the high-value utilization of molybdenum concentrate.

钼酸钠的制备工艺存在能耗高、热效率低、对三氧化钼原料要求高等缺点,为实现钼精矿资源的绿色高效开发,本文提出了一种微波强化焙烧碱浸法从钼精矿中高效回收钼并制备钼酸钠的新工艺。热力学分析表明了氧化焙烧钼精矿的可行性。研究了焙烧温度、保温时间和功率质量比对氧化产物和浸出产物钼酸钠(Na2MoO4-2H2O)的影响。在焙烧温度为 700°C、保温时间为 110 分钟、功率质量比为 110 W/g 的最佳工艺条件下,钼的存在状态由 MoS2 转变为 MoO3。研究了钼煅烧碱浸出制备钼酸钠的工艺,最佳浸出条件包括溶液浓度为 2.5 mol/L、液固比为 2 mL/g、浸出温度为 60℃、浸出液终点 pH 为 8。同时,浸出除去杂质后,钼酸钠的含量达到 94.08wt%。通过用碳酸钠溶液调节浸出液的 pH 值,可有效分离铁和铝杂质。该研究避免了传统工艺的缺点,利用微波冶金的优势制备了高品质的钼酸钠,为钼精矿的高值化利用提供了新思路。
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引用次数: 0
Prediction of the thermal conductivity of Mg-Al-La alloys by CALPHAD method 用 CALPHAD 方法预测镁铝镭合金的热导率
IF 2.232 2区 材料科学 Q2 MATERIALS SCIENCE, MULTIDISCIPLINARY Pub Date : 2024-01-26 DOI: 10.1007/s12613-023-2759-6
Hongxia Li, Wenjun Xu, Yufei Zhang, Shenglan Yang, Lijun Zhang, Bin Liu, Qun Luo, Qian Li

Mg−Al alloys have excellent strength and ductility but relatively low thermal conductivity due to Al addition. The accurate prediction of thermal conductivity is a prerequisite for designing Mg−Al alloys with high thermal conductivity. Thus, databases for predicting temperature- and composition-dependent thermal conductivities must be established. In this study, Mg−Al−La alloys with different contents of Al2La, Al3La, and Al11La3 phases and solid solubility of Al in the α-Mg phase were designed. The influence of the second phase(s) and Al solid solubility on thermal conductivity was investigated. Experimental results revealed a second phase transformation from Al2La to Al3La and further to Al11La3 with the increasing Al content at a constant La amount. The degree of the negative effect of the second phase(s) on thermal diffusivity followed the sequence of Al2La > Al3La > Al11La3. Compared with the second phase, an increase in the solid solubility of Al in α-Mg remarkably reduced the thermal conductivity. On the basis of the experimental data, a database of the reciprocal thermal diffusivity of the Mg−Al−La system was established by calculation of the phase diagram (CALPHAD) method. With a standard error of ±1.2 W/(m·K), the predicted results were in good agreement with the experimental data. The established database can be used to design Mg−Al alloys with high thermal conductivity and provide valuable guidance for expanding their application prospects.

镁铝合金具有出色的强度和延展性,但由于添加了铝,导热率相对较低。准确预测热导率是设计高热导率镁铝合金的先决条件。因此,必须建立预测与温度和成分有关的导热系数的数据库。本研究设计了具有不同 Al2La、Al3La 和 Al11La3 相含量以及 Al 在 α-Mg 相中固溶度的 Mg-Al-La 合金。研究了第二相和铝固溶度对热导率的影响。实验结果表明,在 La 含量不变的情况下,随着 Al 含量的增加,第二相从 Al2La 转变为 Al3La,并进一步转变为 Al11La3。第二相对热扩散率的负面影响程度依次为 Al2La > Al3La > Al11La3。与第二相相比,Al 在 α-Mg 中固溶度的增加显著降低了热导率。在实验数据的基础上,通过相图计算(CALPHAD)方法建立了 Mg-Al-La 体系的倒易热扩散率数据库。在标准误差为 ±1.2 W/(m-K) 的情况下,预测结果与实验数据十分吻合。所建立的数据库可用于设计具有高热导率的镁铝合金,并为拓展其应用前景提供有价值的指导。
{"title":"Prediction of the thermal conductivity of Mg-Al-La alloys by CALPHAD method","authors":"Hongxia Li, Wenjun Xu, Yufei Zhang, Shenglan Yang, Lijun Zhang, Bin Liu, Qun Luo, Qian Li","doi":"10.1007/s12613-023-2759-6","DOIUrl":"https://doi.org/10.1007/s12613-023-2759-6","url":null,"abstract":"<p>Mg−Al alloys have excellent strength and ductility but relatively low thermal conductivity due to Al addition. The accurate prediction of thermal conductivity is a prerequisite for designing Mg−Al alloys with high thermal conductivity. Thus, databases for predicting temperature- and composition-dependent thermal conductivities must be established. In this study, Mg−Al−La alloys with different contents of Al<sub>2</sub>La, Al<sub>3</sub>La, and Al<sub>11</sub>La<sub>3</sub> phases and solid solubility of Al in the α-Mg phase were designed. The influence of the second phase(s) and Al solid solubility on thermal conductivity was investigated. Experimental results revealed a second phase transformation from Al<sub>2</sub>La to Al<sub>3</sub>La and further to Al<sub>11</sub>La<sub>3</sub> with the increasing Al content at a constant La amount. The degree of the negative effect of the second phase(s) on thermal diffusivity followed the sequence of Al<sub>2</sub>La &gt; Al<sub>3</sub>La &gt; Al<sub>11</sub>La<sub>3</sub>. Compared with the second phase, an increase in the solid solubility of Al in α-Mg remarkably reduced the thermal conductivity. On the basis of the experimental data, a database of the reciprocal thermal diffusivity of the Mg−Al−La system was established by calculation of the phase diagram (CALPHAD) method. With a standard error of ±1.2 W/(m·K), the predicted results were in good agreement with the experimental data. The established database can be used to design Mg−Al alloys with high thermal conductivity and provide valuable guidance for expanding their application prospects.</p>","PeriodicalId":14030,"journal":{"name":"International Journal of Minerals, Metallurgy, and Materials","volume":"11 1","pages":""},"PeriodicalIF":2.232,"publicationDate":"2024-01-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"139579100","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}
引用次数: 0
N-doped graphene quantum dot-decorated N-TiO2/P-doped porous hollow g-C3N4 nanotube composite photocatalysts for antibiotic photodegradation and H2 production N 掺杂石墨烯量子点装饰的 N-TiO2/P 掺杂多孔空心 g-C3N4 纳米管复合光催化剂用于抗生素光降解和 H2 生产
IF 2.232 2区 材料科学 Q2 MATERIALS SCIENCE, MULTIDISCIPLINARY Pub Date : 2024-01-26 DOI: 10.1007/s12613-023-2678-6
Jingshu Yuan, Yao Zhang, Xiaoyan Zhang, Junjie Zhang, Shen’gen Zhang

Exclusive responsiveness to ultraviolet light (∼3.2 eV) and high photogenerated charge recombination rate are the two primary drawbacks of pure TiO2. We combined N-doped graphene quantum dots (N-GQDs), morphology regulation, and heterojunction construction strategies to synthesize N-GQD/N-doped TiO2/P-doped porous hollow g-C3N4 nanotube (PCN) composite photocatalysts (denoted as G-TPCN). The optimal sample (G-TPCN doped with 0.1wt% N-GQD, denoted as 0.1%G-TPCN) exhibits significantly enhanced photoabsorption, which is attributed to the change in bandgap caused by elemental doping (P and N), the improved light-harvesting resulting from the tube structure, and the upconversion effect of N-GQDs. In addition, the internal charge separation and transfer capability of 0.1%G-TPCN are dramatically boosted, and its carrier concentration is 3.7, 2.3, and 1.9 times that of N-TiO2, PCN, and N-TiO2/PCN (TPCN-1), respectively. This phenomenon is attributed to the formation of Z-scheme heterojunction between N-TiO2 and PCNs, the excellent electron conduction ability of N-GQDs, and the short transfer distance caused by the porous nanotube structure. Compared with those of N-TiO2, PCNs, and TPCN-1, the H2 production activity of 0.1%G-TPCN under visible light is enhanced by 12.4, 2.3, and 1.4 times, respectively, and its ciprofloxacin (CIP) degradation rate is increased by 7.9, 5.7, and 2.9 times, respectively. The optimized performance benefits from excellent photoresponsiveness and improved carrier separation and migration efficiencies. Finally, the photocatalytic mechanism of 0.1%G-TPCN and five possible degradation pathways of CIP are proposed. This study clarifies the mechanism of multiple modification strategies to synergistically improve the photocatalytic performance of 0.1%G-TPCN and provides a potential strategy for rationally designing novel photocatalysts for environmental remediation and solar energy conversion.

对紫外线(∼3.2 eV)的唯一响应性和高光生电荷重组率是纯 TiO2 的两个主要缺点。我们结合N-掺杂石墨烯量子点(N-GQDs)、形貌调控和异质结构建策略,合成了N-GQD/N-掺杂TiO2/P-掺杂多孔空心g-C3N4纳米管(PCN)复合光催化剂(简称G-TPCN)。最佳样品(掺杂 0.1wt% N-GQD 的 G-TPCN,记为 0.1%G-TPCN)的光吸收性能显著增强,这归因于元素掺杂(P 和 N)引起的带隙变化、管状结构带来的光收集改善以及 N-GQD 的上转换效应。此外,0.1%G-TPCN 的内部电荷分离和转移能力显著提高,其载流子浓度分别是 N-TiO2、PCN 和 N-TiO2/PCN (TPCN-1) 的 3.7 倍、2.3 倍和 1.9 倍。这一现象归因于 N-TiO2 与 PCN 之间形成的 Z 型异质结、N-GQDs 优异的电子传导能力以及多孔纳米管结构所带来的短传输距离。与 N-TiO2、PCNs 和 TPCN-1 相比,0.1%G-TPCN 在可见光下产生 H2 的活性分别提高了 12.4、2.3 和 1.4 倍,其环丙沙星(CIP)降解率分别提高了 7.9、5.7 和 2.9 倍。优化的性能得益于出色的光响应性以及载流子分离和迁移效率的提高。最后,提出了 0.1%G-TPCN 的光催化机理以及五种可能的 CIP 降解途径。本研究阐明了多种修饰策略协同提高 0.1%G-TPCN 光催化性能的机理,为合理设计新型光催化剂用于环境修复和太阳能转换提供了一种潜在的策略。
{"title":"N-doped graphene quantum dot-decorated N-TiO2/P-doped porous hollow g-C3N4 nanotube composite photocatalysts for antibiotic photodegradation and H2 production","authors":"Jingshu Yuan, Yao Zhang, Xiaoyan Zhang, Junjie Zhang, Shen’gen Zhang","doi":"10.1007/s12613-023-2678-6","DOIUrl":"https://doi.org/10.1007/s12613-023-2678-6","url":null,"abstract":"<p>Exclusive responsiveness to ultraviolet light (∼3.2 eV) and high photogenerated charge recombination rate are the two primary drawbacks of pure TiO<sub>2</sub>. We combined N-doped graphene quantum dots (N-GQDs), morphology regulation, and heterojunction construction strategies to synthesize N-GQD/N-doped TiO<sub>2</sub>/P-doped porous hollow g-C<sub>3</sub>N<sub>4</sub> nanotube (PCN) composite photocatalysts (denoted as G-TPCN). The optimal sample (G-TPCN doped with 0.1wt% N-GQD, denoted as 0.1%G-TPCN) exhibits significantly enhanced photoabsorption, which is attributed to the change in bandgap caused by elemental doping (P and N), the improved light-harvesting resulting from the tube structure, and the upconversion effect of N-GQDs. In addition, the internal charge separation and transfer capability of 0.1%G-TPCN are dramatically boosted, and its carrier concentration is 3.7, 2.3, and 1.9 times that of N-TiO<sub>2</sub>, PCN, and N-TiO<sub>2</sub>/PCN (TPCN-1), respectively. This phenomenon is attributed to the formation of Z-scheme heterojunction between N-TiO<sub>2</sub> and PCNs, the excellent electron conduction ability of N-GQDs, and the short transfer distance caused by the porous nanotube structure. Compared with those of N-TiO<sub>2</sub>, PCNs, and TPCN-1, the H<sub>2</sub> production activity of 0.1%G-TPCN under visible light is enhanced by 12.4, 2.3, and 1.4 times, respectively, and its ciprofloxacin (CIP) degradation rate is increased by 7.9, 5.7, and 2.9 times, respectively. The optimized performance benefits from excellent photoresponsiveness and improved carrier separation and migration efficiencies. Finally, the photocatalytic mechanism of 0.1%G-TPCN and five possible degradation pathways of CIP are proposed. This study clarifies the mechanism of multiple modification strategies to synergistically improve the photocatalytic performance of 0.1%G-TPCN and provides a potential strategy for rationally designing novel photocatalysts for environmental remediation and solar energy conversion.</p>","PeriodicalId":14030,"journal":{"name":"International Journal of Minerals, Metallurgy, and Materials","volume":"37 1","pages":""},"PeriodicalIF":2.232,"publicationDate":"2024-01-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"139579151","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}
引用次数: 0
Hybrid model for BOF oxygen blowing time prediction based on oxygen balance mechanism and deep neural network 基于氧平衡机制和深度神经网络的混合模型用于预测转炉吹氧时间
IF 2.232 2区 材料科学 Q2 MATERIALS SCIENCE, MULTIDISCIPLINARY Pub Date : 2024-01-26 DOI: 10.1007/s12613-023-2670-1
Xin Shao, Qing Liu, Zicheng Xin, Jiangshan Zhang, Tao Zhou, Shaoshuai Li

The amount of oxygen blown into the converter is one of the key parameters for the control of the converter blowing process, which directly affects the tap-to-tap time of converter. In this study, a hybrid model based on oxygen balance mechanism (OBM) and deep neural network (DNN) was established for predicting oxygen blowing time in converter. A three-step method was utilized in the hybrid model. First, the oxygen consumption volume was predicted by the OBM model and DNN model, respectively. Second, a more accurate oxygen consumption volume was obtained by integrating the OBM model and DNN model. Finally, the converter oxygen blowing time was calculated according to the oxygen consumption volume and the oxygen supply intensity of each heat. The proposed hybrid model was verified using the actual data collected from an integrated steel plant in China, and compared with multiple linear regression model, OBM model, and neural network model including extreme learning machine, back propagation neural network, and DNN. The test results indicate that the hybrid model with a network structure of 3 hidden layer layers, 32-16-8 neurons per hidden layer, and 0.1 learning rate has the best prediction accuracy and stronger generalization ability compared with other models. The predicted hit ratio of oxygen consumption volume within the error ±300 m3 is 96.67%; determination coefficient (R2) and root mean square error (RMSE) are 0.6984 and 150.03 m3, respectively. The oxygen blow time prediction hit ratio within the error ±0.6 min is 89.50%; R2 and RMSE are 0.9486 and 0.3592 min, respectively. As a result, the proposed model can effectively predict the oxygen consumption volume and oxygen blowing time in the converter.

吹入变流器的氧气量是控制变流器吹氧过程的关键参数之一,它直接影响变流器的分接时间。本研究建立了一个基于氧气平衡机制(OBM)和深度神经网络(DNN)的混合模型,用于预测转炉吹氧时间。该混合模型采用了三步法。首先,分别用 OBM 模型和 DNN 模型预测耗氧量。其次,通过整合 OBM 模型和 DNN 模型获得更精确的耗氧量。最后,根据耗氧量和各热量的供氧强度计算出转换器吹氧时间。利用从中国某综合钢铁厂收集的实际数据对所提出的混合模型进行了验证,并与多元线性回归模型、OBM 模型以及包括极端学习机、反向传播神经网络和 DNN 在内的神经网络模型进行了比较。测试结果表明,与其他模型相比,采用 3 个隐藏层、每个隐藏层 32-16-8 个神经元、学习率为 0.1 的网络结构的混合模型具有最佳的预测精度和更强的泛化能力。耗氧量预测命中率在误差±300 m3以内,为96.67%;判定系数(R2)和均方根误差(RMSE)分别为0.6984和150.03 m3。吹氧时间预测命中率在误差 ±0.6 min 范围内为 89.50%;R2 和均方根误差分别为 0.9486 和 0.3592 min。因此,所提出的模型可以有效预测转炉的耗氧量和吹氧时间。
{"title":"Hybrid model for BOF oxygen blowing time prediction based on oxygen balance mechanism and deep neural network","authors":"Xin Shao, Qing Liu, Zicheng Xin, Jiangshan Zhang, Tao Zhou, Shaoshuai Li","doi":"10.1007/s12613-023-2670-1","DOIUrl":"https://doi.org/10.1007/s12613-023-2670-1","url":null,"abstract":"<p>The amount of oxygen blown into the converter is one of the key parameters for the control of the converter blowing process, which directly affects the tap-to-tap time of converter. In this study, a hybrid model based on oxygen balance mechanism (OBM) and deep neural network (DNN) was established for predicting oxygen blowing time in converter. A three-step method was utilized in the hybrid model. First, the oxygen consumption volume was predicted by the OBM model and DNN model, respectively. Second, a more accurate oxygen consumption volume was obtained by integrating the OBM model and DNN model. Finally, the converter oxygen blowing time was calculated according to the oxygen consumption volume and the oxygen supply intensity of each heat. The proposed hybrid model was verified using the actual data collected from an integrated steel plant in China, and compared with multiple linear regression model, OBM model, and neural network model including extreme learning machine, back propagation neural network, and DNN. The test results indicate that the hybrid model with a network structure of 3 hidden layer layers, 32-16-8 neurons per hidden layer, and 0.1 learning rate has the best prediction accuracy and stronger generalization ability compared with other models. The predicted hit ratio of oxygen consumption volume within the error ±300 m<sup>3</sup> is 96.67%; determination coefficient (<i>R</i><sup>2</sup>) and root mean square error (RMSE) are 0.6984 and 150.03 m<sup>3</sup>, respectively. The oxygen blow time prediction hit ratio within the error ±0.6 min is 89.50%; <i>R</i><sup><i>2</i></sup> and RMSE are 0.9486 and 0.3592 min, respectively. As a result, the proposed model can effectively predict the oxygen consumption volume and oxygen blowing time in the converter.</p>","PeriodicalId":14030,"journal":{"name":"International Journal of Minerals, Metallurgy, and Materials","volume":"126 1","pages":""},"PeriodicalIF":2.232,"publicationDate":"2024-01-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"139579144","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}
引用次数: 0
Dual-ion carrier storage through Mg2+ addition for high-energy and long-life zinc-ion hybrid capacitor 通过添加 Mg2+ 实现双离子载流子存储,打造高能量、长寿命的锌-离子混合电容器
IF 2.232 2区 材料科学 Q2 MATERIALS SCIENCE, MULTIDISCIPLINARY Pub Date : 2024-01-26 DOI: 10.1007/s12613-023-2724-4
Junjie Zhang, Xiang Wu

Cation additives can efficiently enhance the total electrochemical capabilities of zinc-ion hybrid capacitors (ZHCs). However, their energy storage mechanisms in zinc-based systems are still under debate. Herein, we modulate the electrolyte and achieve dual-ion storage by adding magnesium ions. And we assemble several Zn//activated carbon devices with different electrolyte concentrations and investigate their electrochemical reaction dynamic behaviors. The zinc-ion capacitor with Mg2+ mixed solution delivers 82 mAh·g−1 capacity at 1 A·g−1 and maintains 91% of the original capacitance after 10000 cycling. It is superior to the other assembled zinc-ion devices in single-component electrolytes. The finding demonstrates that the double-ion storage mechanism enables the superior rate performance and long cycle lifetime of ZHCs.

阳离子添加剂可有效提高锌-离子混合电容器(ZHC)的总体电化学能力。然而,它们在锌基系统中的储能机制仍存在争议。在此,我们通过添加镁离子来调节电解质并实现双离子存储。我们还组装了几种不同电解质浓度的锌/活性炭器件,并研究了它们的电化学反应动力学行为。含有 Mg2+ 混合溶液的锌离子电容器在 1 A-g-1 的条件下可提供 82 mAh-g-1 的电容量,并且在 10000 次循环后仍能保持原有电容量的 91%。它优于其他在单组分电解质中组装的锌离子器件。这一发现表明,双离子存储机制使 ZHC 具有卓越的速率性能和较长的循环寿命。
{"title":"Dual-ion carrier storage through Mg2+ addition for high-energy and long-life zinc-ion hybrid capacitor","authors":"Junjie Zhang, Xiang Wu","doi":"10.1007/s12613-023-2724-4","DOIUrl":"https://doi.org/10.1007/s12613-023-2724-4","url":null,"abstract":"<p>Cation additives can efficiently enhance the total electrochemical capabilities of zinc-ion hybrid capacitors (ZHCs). However, their energy storage mechanisms in zinc-based systems are still under debate. Herein, we modulate the electrolyte and achieve dual-ion storage by adding magnesium ions. And we assemble several Zn//activated carbon devices with different electrolyte concentrations and investigate their electrochemical reaction dynamic behaviors. The zinc-ion capacitor with Mg<sup>2+</sup> mixed solution delivers 82 mAh·g<sup>−1</sup> capacity at 1 A·g<sup>−1</sup> and maintains 91% of the original capacitance after 10000 cycling. It is superior to the other assembled zinc-ion devices in single-component electrolytes. The finding demonstrates that the double-ion storage mechanism enables the superior rate performance and long cycle lifetime of ZHCs.</p>","PeriodicalId":14030,"journal":{"name":"International Journal of Minerals, Metallurgy, and Materials","volume":"10 1","pages":""},"PeriodicalIF":2.232,"publicationDate":"2024-01-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"139578967","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}
引用次数: 0
Competitive oxidation behavior of Ni-based superalloy GH4738 at extreme temperature 镍基超合金 GH4738 在极端温度下的竞争氧化行为
IF 2.232 2区 材料科学 Q2 MATERIALS SCIENCE, MULTIDISCIPLINARY Pub Date : 2024-01-26 DOI: 10.1007/s12613-023-2687-5
Hui Xu, Shufeng Yang, Enhui Wang, Yunsong Liu, Chunyu Guo, Xinmei Hou, Yanling Zhang

A high thrust-to-weight ratio poses challenges to the high-temperature performance of Ni-based superalloys. The oxidation behavior of GH4738 at extreme temperatures has been investigated by isothermal and non-isothermal experiments. As a result of the competitive diffusion of alloying elements, the oxide scale included an outermost porous oxide layer (OOL), an inner relatively dense oxide layer (IOL), and an internal oxide zone (IOZ), depending on the temperature and time. A high temperature led to the formation of large voids at the IOL/IOZ interface. At 1200°C, the continuity of the Cr-rich oxide layer in the IOL was destroyed, and thus, spallation occurred. Extension of oxidation time contributed to the size of Al-rich oxide particles with the increase in the IOZ. Based on this finding, the oxidation kinetics of GH4738 was discussed, and the corresponding oxidation behavior at 900–1100°C was predicted.

高推重比对镍基超级合金的高温性能提出了挑战。通过等温和非等温实验研究了 GH4738 在极端温度下的氧化行为。由于合金元素的竞争性扩散,氧化鳞片包括最外层的多孔氧化层(OOL)、内部相对致密的氧化层(IOL)和内部氧化区(IOZ),具体取决于温度和时间。高温导致 IOL/IOZ 界面形成大量空隙。在 1200°C 时,IOL 中富铬氧化层的连续性被破坏,因此发生了剥落。氧化时间的延长导致富铝氧化物颗粒的尺寸随着 IOZ 的增加而增大。根据这一发现,讨论了 GH4738 的氧化动力学,并预测了其在 900-1100°C 时的相应氧化行为。
{"title":"Competitive oxidation behavior of Ni-based superalloy GH4738 at extreme temperature","authors":"Hui Xu, Shufeng Yang, Enhui Wang, Yunsong Liu, Chunyu Guo, Xinmei Hou, Yanling Zhang","doi":"10.1007/s12613-023-2687-5","DOIUrl":"https://doi.org/10.1007/s12613-023-2687-5","url":null,"abstract":"<p>A high thrust-to-weight ratio poses challenges to the high-temperature performance of Ni-based superalloys. The oxidation behavior of GH4738 at extreme temperatures has been investigated by isothermal and non-isothermal experiments. As a result of the competitive diffusion of alloying elements, the oxide scale included an outermost porous oxide layer (OOL), an inner relatively dense oxide layer (IOL), and an internal oxide zone (IOZ), depending on the temperature and time. A high temperature led to the formation of large voids at the IOL/IOZ interface. At 1200°C, the continuity of the Cr-rich oxide layer in the IOL was destroyed, and thus, spallation occurred. Extension of oxidation time contributed to the size of Al-rich oxide particles with the increase in the IOZ. Based on this finding, the oxidation kinetics of GH4738 was discussed, and the corresponding oxidation behavior at 900–1100°C was predicted.</p>","PeriodicalId":14030,"journal":{"name":"International Journal of Minerals, Metallurgy, and Materials","volume":"10 1","pages":""},"PeriodicalIF":2.232,"publicationDate":"2024-01-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"139579102","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}
引用次数: 0
Spark plasma sintering of tungsten-based WTaVCr refractory high entropy alloys for nuclear fusion applications 用于核聚变应用的钨基 WTaVCr 难熔高熵合金的火花等离子烧结
IF 2.232 2区 材料科学 Q2 MATERIALS SCIENCE, MULTIDISCIPLINARY Pub Date : 2024-01-26 DOI: 10.1007/s12613-023-2711-9
Yongchul Yoo, Xiang Zhang, Fei Wang, Xin Chen, Xing-Zhong Li, Michael Nastasi, Bai Cui

W-based WTaVCr refractory high entropy alloys (RHEA) may be novel and promising candidate materials for plasma facing components in the first wall and diverter in fusion reactors. This alloy has been developed by a powder metallurgy process combining mechanical alloying and spark plasma sintering (SPS). The SPSed samples contained two phases, in which the matrix is RHEA with a body-centered cubic structure, while the oxide phase was most likely Ta2VO6 through a combined analysis of X-ray diffraction (XRD), energy-dispersive spectroscopy (EDS), and selected area electron diffraction (SAED). The higher oxygen affinity of Ta and V may explain the preferential formation of their oxide phases based on thermodynamic calculations. Electron backscatter diffraction (EBSD) revealed an average grain size of 6.2 μm. WTaVCr RHEA showed a peak compressive strength of 2997 MPa at room temperature and much higher micro- and nano-hardness than W and other W-based RHEAs in the literature. Their high Rockwell hardness can be retained to at least 1000°C.

基于 WTaVCr 的 WTaVCr 难熔高熵合金 (RHEA) 可能是用于聚变反应堆第一壁和分流器等离子体面组件的新型、有前途的候选材料。这种合金是通过机械合金化和火花等离子烧结(SPS)相结合的粉末冶金工艺研制而成的。通过 X 射线衍射 (XRD)、能量色散光谱 (EDS) 和选区电子衍射 (SAED) 的综合分析,SPS 烧结样品包含两相,其中基体是具有体心立方结构的 RHEA,而氧化物相很可能是 Ta2VO6。根据热力学计算,Ta 和 V 的氧亲和力较高,这可能是它们的氧化物相优先形成的原因。电子反向散射衍射 (EBSD) 显示平均晶粒大小为 6.2 μm。WTaVCr RHEA 在室温下的峰值抗压强度为 2997 兆帕,其微观和纳米硬度远高于文献中的 W 和其他 W 基 RHEA。它们的高洛氏硬度至少可以保持到 1000°C。
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International Journal of Minerals, Metallurgy, and Materials
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