2022 Vol. 29, No. 4

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Preface
Preface of special issue for the 70th anniversary of USTB
Guanhua Xu
2022, vol. 29, no. 4, pp. 575-576. https://doi.org/10.1007/s12613-022-2444-1
Abstract:
Research Article
General solution model and its new progress
Kuo-Chih Chou
2022, vol. 29, no. 4, pp. 577-585. https://doi.org/10.1007/s12613-022-2411-x
Abstract:
The physicochemical properties of multicomponent systems are involved in all fields of chemistry and have received attention from various related areas such as minerals, metallurgy, material science, environment, biology, and agriculture. At present, the relevant data can be obtained by using two major calculation methods, namely, the first principle method and the empirical method. Though the former has achieved recent great progress, it is still a long way to offer practical data; while the latter has not received progress for almost half a century. Therefore, a new method that is theoretically reasonable and accurate in practical application is necessary to obtain practical and precise physicochemical data for ternary and multicomponent systems. In this paper, a new theoretical model is suggested based on its corresponding binary ones. The feasibility of this theoretical model is discussed in terms of both theoretical analysis and practical performance.
Invited Review
Influencing factors and mechanism of iodine-induced stress corrosion cracking of zirconium alloy cladding: A review
Yusha Li, Changchun Ge, Yanhong Liu, Guangbin Li, Xiaoxu Dong, Zongxing Gu, and  Yingchun Zhang
2022, vol. 29, no. 4, pp. 586-598. https://doi.org/10.1007/s12613-022-2431-6
Abstract:
Failure of the zirconium alloy claddings due to iodine-induced stress corrosion cracking (I-SCC) will increase the risk of fission product leakage. The progress of I-SCC has been comprehensively investigated in a massive amount of published literature. For a comprehensive understanding of I-SCC, this review focuses on summarizing the mechanisms and influencing factors of I-SCC. Results show that micropits are formed on the surface of zirconium alloys due to the reaction between iodine and zirconium, and then small pits gradually gather to form pit clusters. Cracks are easily generated in pit clusters and propagate along the grain boundary. After reaching a particular condition, the crack will transform into transgranular direction propagation. As the crack develops, it finally becomes a ductile fracture. We also summarize various factors that may affect I-SCC. The specific cracking conditions are linked to elements, such as iodine concentration, temperature, microstructure, and alloying elements. Nonetheless, the improvement of the I-SCC resistance of zirconium alloys needs to be further explored. More attention can be paid to material properties, such as alloying elements, microstructure, and surface treatment, to improve the I-SCC resistance of zirconium alloys.
Invited Review
Current situation and development trend of titanium metal industry in China
Guanzhou Qiu and  Yufeng Guo
2022, vol. 29, no. 4, pp. 599-610. https://doi.org/10.1007/s12613-022-2455-y
Abstract:
Titanium metal and alloy are key materials for technological development, which significantly promote the development of the high-tech economy in China. The consumption of high-end titanium materials and the developmental level of the titanium industry are important indexes of a country’s comprehensive power. However, at present, the application amount and level of high-end titanium materials in China are limited by many factors, including the dependence of raw materials on imports, high processing cost, and structural imbalance of products. Based on the characteristics of titanium resources and the current situation of the titanium industry, the whole titanium industrial chain in China should be updated. Improving the quality of raw materials is important to produce low-cost, high-end titanium materials using titanium resources with high calcium and magnesium contents in the Panxi region. In addition, the steel–titanium joint production is a vital step to reduce the processing cost of titanium materials. Moreover, the consumption structure of titanium materials should be completed to expand their application. Gradually implementing these suggestions, the overall level of China’s titanium industry will be greatly improved, thereby rapidly establishing an advanced scientific and technological country.
Invited Review
Smart manufacturing of nonferrous metallurgical processes: Review and perspectives
Bei Sun, Juntao Dai, Keke Huang, Chunhua Yang, and  Weihua Gui
2022, vol. 29, no. 4, pp. 611-625. https://doi.org/10.1007/s12613-022-2448-x
Abstract:
The nonferrous metallurgical (NFM) industry is a cornerstone industry for a nation’s economy. With the development of artificial technologies and high requirements on environment protection, product quality, and production efficiency, the importance of applying smart manufacturing technologies to comprehensively percept production states and intelligently optimize process operations is becoming widely recognized by the industry. As a brief summary of the smart and optimal manufacturing of the NFM industry, this paper first reviews the research progress on some key facets of the operational optimization of NFM processes, including production and management, blending optimization, modeling, process monitoring, optimization, and control. Then, it illustrates the perspectives of smart and optimal manufacturing of the NFM industry. Finally, it discusses the major research directions and challenges of smart and optimal manufacturing for the NFM industry. This paper will lay a foundation for the realization of smart and optimal manufacturing in nonferrous metallurgy in the future.
Invited Review
Technology strategies to achieve carbon peak and carbon neutrality for China’s metal mines
Qifeng Guo, Xun Xi, Shangtong Yang, and  Meifeng Cai
2022, vol. 29, no. 4, pp. 626-634. https://doi.org/10.1007/s12613-021-2374-3
Abstract:
Greenhouse gas (GHG) emissions related to human activities have significantly caused climate change since the Industrial Revolution. China aims to achieve its carbon emission peak before 2030 and carbon neutrality before 2060. Accordingly, this paper reviews and discusses technical strategies to achieve the “dual carbon” targets in China’s metal mines. First, global carbon emissions and emission intensities from metal mining industries are analyzed. The metal mining status and carbon emissions in China are then examined. Furthermore, advanced technologies for carbon mitigation and carbon sequestration in metal mines are reviewed. Finally, a technical roadmap for achieving carbon neutrality in China’s metal mines is proposed. Findings show that some international mining giants have already achieved their carbon reduction targets and planned to achieve carbon neutrality by 2050. Moreover, improving mining efficiency by developing advanced technologies and replacing fossil fuel with renewable energy are two key approaches in reducing GHG emissions. Green mines can significantly benefit from the carbon neutrality process for metal mines through the carbon absorption of reclamation vegetations. Geothermal energy extraction from operating and abandoned metal mines is a promising technology for providing clean energy and contributing to the carbon neutrality target of China’s metal mines. Carbon sequestration in mine backfills and tailings through mineral carbonation has the potential to permanently and safely store carbon dioxide, which can eventually make the metal mining industry carbon neutral or even carbon negative.
Invited Review
Recent progress in the machine learning-assisted rational design of alloys
Huadong Fu, Hongtao Zhang, Changsheng Wang, Wei Yong, and  Jianxin Xie
2022, vol. 29, no. 4, pp. 635-644. https://doi.org/10.1007/s12613-022-2458-8
Abstract:
Alloys designed with the traditional trial and error method have encountered several problems, such as long trial cycles and high costs. The rapid development of big data and artificial intelligence provides a new path for the efficient development of metallic materials, that is, machine learning-assisted design. In this paper, the basic strategy for the machine learning-assisted rational design of alloys was introduced. Research progress in the property-oriented reversal design of alloy composition, the screening design of alloy composition based on models established using element physical and chemical features or microstructure factors, and the optimal design of alloy composition and process parameters based on iterative feedback optimization was reviewed. Results showed the great advantages of machine learning, including high efficiency and low cost. Future development trends for the machine learning-assisted rational design of alloys were also discussed. Interpretable modeling, integrated modeling, high-throughput combination, multi-objective optimization, and innovative platform building were suggested as fields of great interest.
Invited Review
Titanium microalloying of steel: A review of its effects on processing, microstructure and mechanical properties
Shuize Wang, Zhijun Gao, Guilin Wu, and  Xinping Mao
2022, vol. 29, no. 4, pp. 645-661. https://doi.org/10.1007/s12613-021-2399-7
Abstract:

Carbon neutrality of the steel industry requires the development of high-strength steel. The mechanical properties of low-alloy steel can be considerably improved at a low cost by adding a small amount of titanium (Ti) element, namely Ti microalloying, whose performance is related to Ti-contained second phase particles including inclusions and precipitates. By proper controlling the precipitation behaviors of these particles during different stages of steel manufacture, fine-grained microstructure and strong precipitation strengthening effects can be obtained in low-alloy steel. Thus, Ti microalloying can be widely applied to produce high strength steel, which can replace low strength steels heavily used in various areas currently. This article reviews the characteristics of the chemical and physical metallurgies of Ti microalloying and the effects of Ti microalloying on the phase formation, microstructural evolution, precipitation behavior of low-carbon steel during the steel making process, especially the thin slab casting and continuous rolling process and the mechanical properties of final steel products. Future development of Ti microalloying is also proposed to further promote the application of Ti microalloying technology in steel to meet the requirement of low-carbon economy.

Research Article
Effect of transport agent boron triiodide on the synthesis and crystal quality of boron arsenide
Zhenxing Liu, Fangjie Deng, Yuan Zhou, Yanjie Liang, Cong Peng, Bing Peng, Feiping Zhao, Zhihui Yang, and  Liyuan Chai
2022, vol. 29, no. 4, pp. 662-670. https://doi.org/10.1007/s12613-022-2438-z
Abstract:
Cubic boron arsenide (BAs) has attracted great attention due to its high thermal conductivity, however, its controllable, stable, and ideal preparation remains challenging. Herein, we investigated the effect of iodine-containing transport agents I2 and boron triiodide (BI3) on BAs synthesized and grown through chemical vapor transport. Results show that similar to the commonly used I2, BI3 accelerates the synthesis and improves the mass fraction of BAs from ~12% to over 90% at 820°C and 1.5 MPa, a value beyond the promoting effect of only increasing temperature and pressure. Both agents enhance the quality of BAs crystals by reducing the full width at half maximum by up to 10%–20%. I2 agglomerates the grown crystals with twin defects (~50 nm wide), and BI3 improves the crystal anisotropy and element uniformity of BAs crystals with narrow twins (~15 nm wide) and increases the stoichiometry ratio (~0.990) to almost 1. Owing to the boron interstitials from the excessive boron supply, the spacing of layers in {111} increases to 0.286 nm in the presence of I2. Owing to its coordinated effect, BI3 only slightly influences the layer spacing at 0.275 nm, which is close to the theoretical value of 0.276 nm. In the chemical vapor transport, the anisotropic crystals with flat surfaces exhibit single-crystal characteristics under the action of BI3. Different from that of I2, the coordinated effect of BI3 can promote the efficient preparation of high-quality BAs crystal seeds and facilitate the advanced application of BAs.
Invited Review
Flexible electronics and optoelectronics of 2D van der Waals materials
Huihui Yu, Zhihong Cao, Zheng Zhang, Xiankun Zhang, and  Yue Zhang
2022, vol. 29, no. 4, pp. 671-690. https://doi.org/10.1007/s12613-022-2426-3
Abstract:

Flexible electronics and optoelectronics exhibit inevitable trends in next-generation intelligent industries, including healthcare and wellness, electronic skins, the automotive industry, and foldable or rollable displays. Traditional bulk-material-based flexible devices considerably rely on lattice-matched crystal structures and are usually plagued by unavoidable chemical disorders at the interface. Two-dimensional van der Waals materials (2D VdWMs) have exceptional multifunctional properties, including large specific area, dangling-bond-free interface, plane-to-plane van der Waals interactions, and excellent mechanical, electrical, and optical properties. Thus, 2D VdWMs have considerable application potential in functional intelligent flexible devices. To utilize the unique properties of 2D VdWMs and their van der Waals heterostructures, new designs and configurations of electronics and optoelectronics have emerged. However, these new designs and configurations do not consider lattice mismatch and process incompatibility issues. In this review, we summarized the recently reported 2D VdWM-based flexible electronic and optoelectronic devices with various functions thoroughly. Moreover, we identified the challenges and opportunities for further applications of 2D VdWM-based flexible electronics and optoelectronics.

Invited ReviewOpen Access
Energy storage for black start services: A review
Yanqi Zhao, Tongtong Zhang, Li Sun, Xiaowei Zhao, Lige Tong, Li Wang, Jianning Ding, and  Yulong Ding
2022, vol. 29, no. 4, pp. 691-704. https://doi.org/10.1007/s12613-022-2445-0
Abstract:

With the increasing deployment of renewable energy-based power generation plants, the power system is becoming increasingly vulnerable due to the intermittent nature of renewable energy, and a blackout can be the worst scenario. The current auxiliary generators must be upgraded to energy sources with substantially high power and storage capacity, a short response time, good profitability, and minimal environmental concern. Difficulties in the power restoration of renewable energy generators should also be addressed. The different energy storage methods can store and release electrical/thermal/mechanical energy and provide flexibility and stability to the power system. Herein, a review of the use of energy storage methods for black start services is provided, for which little has been discussed in the literature. First, the challenges that impede a stable, environmentally friendly, and cost-effective energy storage-based black start are identified. The energy storage-based black start service may lack supply resilience. Second, the typical energy storage-based black start service, including explanations on its steps and configurations, is introduced. Black start services with different energy storage technologies, including electrochemical, thermal, and electromechanical resources, are compared. Results suggest that hybridization of energy storage technologies should be developed, which mitigates the disadvantages of individual energy storage methods, considering the deployment of energy storage-based black start services.

Invited Review
Research progress of the fundamental theory and technology of rock blasting
Peng Xu, Renshu Yang, Jinjing Zuo, Chenxi Ding, Cheng Chen, Yang Guo, Shizheng Fang, and  Yufei Zhang
2022, vol. 29, no. 4, pp. 705-716. https://doi.org/10.1007/s12613-022-2464-x
Abstract:
Investigating rock fragmentation mechanisms under blasting and developing new blasting technologies are important and challenging directions for blast engineering. Recently, with the development of experimental techniques, the fundamental theory of rock blasting has been extensively studied in the past few decades and has made important achievements in the full understanding of the rock fracturing process under blast loading. It is thus imperative to systematically review the progress in this direction. This paper mainly focuses on the experimental study of rock blasting, including the distribution characteristic of blast energy, evolution of the blast stress field, propagation mechanism of cracks, interaction mechanism between blast waves and cracks, and influence of geostatic stress on rock fragmentation. In addition, some newly developed blasting technologies and their applications are briefly presented. This review could provide comprehensive insights to guide the study on the rock fracturing mechanism under blasting and further provide meaningful guidance for optimizing blast parameters in engineering.
Invited Review
Rheological behavior of paste in metal mines
Aixiang Wu, Zhuen Ruan, and  Jiandong Wang
2022, vol. 29, no. 4, pp. 717-726. https://doi.org/10.1007/s12613-022-2423-6
Abstract:
Cemented paste backfill (CPB) has been one of the best practical approaches for tailings management and underground goaf treatment. Paste rheology is a science to study the flow and deformation behaviors of paste or filling body under the effects of stress, strain, temperature, and time during the CPB process. The goal of studying paste rheology is to solve the engineering problems existing in four key processes; that is, paste rheology should meet the engineering demands of thickening, mixing, transportation, and backfilling. However, paste rheology is extremely complicated due to its high concentration, materials complexity, and engineering characteristics of non-stratification, non-segregation, and non-bleeding. The rheological behavior of full tailings in deep thickening, rheological behavior of paste in mixing and pipeline transportation, and rheological behavior of filling body are introduced and discussed: (1) gel point, compressive yield stress, and the hindered settling function are adopted to characterize the rheological properties of full tailings in deep thickening. Combination of Coe–Clevenger theory and Buscall–White theory can also analyze the thickening performance in the whole area of deep cone thickener; (2) yield stress and viscosity are consistent with the evolution trend of the relative structure coefficient of paste in mixing; (3) coupling effect of wall slip and time–temperature dependency has a significant influence on the rheological properties and pipeline transportation; (4) damage variable is introduced to the Burgers model to describe the creep damage of the filling body. However, in-depth and systematic studies were still needed to establish a complete theoretical system of paste rheology in metal mines.
Invited Review
Surface nanobubble characterization and its enhancement mechanisms for fine-particle flotation: A review
Fangyuan Ma, Patrick Zhang, and  Dongping Tao
2022, vol. 29, no. 4, pp. 727-738. https://doi.org/10.1007/s12613-022-2450-3
Abstract:
Froth flotation is often used for fine-particle separation, but its process efficiency rapidly decreases with decreasing particle size. The efficient separation of ultrafine particles (UFPs) has been a major challenge in the mineral processing field for many years. In recent years, the use of surface nanobubbles in the flotation process has been recognized as an effective approach for enhancing the recovery of UFPs. Compared with traditional macrobubbles, nanobubbles possess unique surface and bulk characteristics, and their effects on the UFP flotation behavior have been a topic of intensive research. This review article is focused on the studies on various unique characteristics of nanobubbles and their mechanisms of enhancing the UFP flotation. The purpose of this article is to summarize the major achievements on the two topics and pinpoint future research needs for a better understanding of the fundamentals of surface nanobubble flotation and developing more feasible and efficient processes for fine and UFPs.
Invited Review
Recycling of ironmaking and steelmaking slags in Japan and China
Hiroyuki Matsuura, Xiao Yang, Guangqiang Li, Zhangfu Yuan, and  Fumitaka Tsukihashi
2022, vol. 29, no. 4, pp. 739-749. https://doi.org/10.1007/s12613-021-2400-5
Abstract:
The mass production of steel is inevitably accompanied by large quantities of slags. The treatment of ironmaking and steelmaking slags is a great challenge in the sustainable development of the steel industry. Japan and China are two major steel producing countries that have placed a large emphasis on developing new technologies to decrease slag emission or promote slag valorization. Slags are almost completely reused or recycled in Japan. However, due to stagnant infrastructural investments, future applications of slags in conventional sectors are expected to be difficult. Exploring new functions or applications of slags has become a research priority in Japan. For example, the utilization of steelmaking slags in offshore seabeds to create marine forests is under development. China is the top steel producer in the world. The utilization ratios of ironmaking and steelmaking slags have risen steadily in recent years, driven largely by technological advances. For example, hot stage processing of slags for materials as well as heat recovery techniques has been widely applied in steel plants with good results. However, increasing the utilization ratio of basic oxygen furnace slags remains a major challenge. Technological innovations in slag recycling are crucial for the steel industries in Japan and China. Here, the current status and developing trends of utilization technologies of slags in both countries are reviewed.
Invited Review
Slags containing transition metal (chromium and vanadium) oxides—Conversion from ticking bombs to valuable resources: Collaborative studies between KTH and USTB
Seshadri Seetharaman, Lijun Wang, and  Haijuan Wang
2022, vol. 29, no. 4, pp. 750-757. https://doi.org/10.1007/s12613-022-2424-5
Abstract:
As the steel industry expands worldwide, slag dumps with transition metals (especially chromium and vanadium) are becoming more common, posing a serious environmental threat. Understanding the properties of slags containing transition metal oxides, as well as how to use the slags to recover and recycle metal values, is critical. Toward this end, the University of Science and Technology Beijing (USTB) and Royal Institute of Technology (KTH) have been collaborating on slags containing transition metals for decades. The research was carried out from a fundamental viewpoint to get a better understanding of the structure of these slags and their properties, as well as industrial practices. The research focused on the three “R”s, viz. retention, recovery, and recycling. The present paper attempts to highlight some of the important achievements in these joint studies.
Research Article
Mathematical simulation of hot metal desulfurization during KR process coupled with an unreacted core model
Yanyu Zhao, Wei Chen, Shusen Cheng, and  Lifeng Zhang
2022, vol. 29, no. 4, pp. 758-766. https://doi.org/10.1007/s12613-022-2425-4
Abstract:
A three-dimensional mathematical model was established to predict the multiphase flow, motion and dispersion of desulfurizer particles, and desulfurization of hot metal during the Kanbara reactor (KR) process. The turbulent kinetic energy–turbulent dissipation rate (k–ε) turbulence model, volume-of-fluid multiphase model, discrete-phase model, and unreacted core model for the reaction between the hot metal and particles were coupled. The measured sulfur content of the hot metal with time during the actual KR process was employed to validate the current mathematical model. The distance from the lowest point of the liquid level to the bottom of the ladle decreased from 3170 to 2191 mm when the rotation speed increased from 30 to 110 r/min, which had a great effect on the dispersion of desulfurizer particles. The critical rotation speed for the vortex to reach the upper edge of the stirring impeller was 70 r/min when the immersion depth was 1500 mm. The desulfurization rate increased with the increase in the impeller rotation speed, whereas the influence of the immersion depth was relatively small. Formulas for different rotation parameters on the desulfurization rate constant and turbulent energy dissipation rate were proposed to evaluate the variation in sulfur content over time.
Invited Review
Recent progress in upgrading metallurgical-grade silicon to solar-grade silicon via pyrometallurgical routes
Yun Lei, Xiaodong Ma, Ye Wang, Zhiyuan Chen, Yongsheng Ren, Wenhui Ma, and  Kazuki Morita
2022, vol. 29, no. 4, pp. 767-782. https://doi.org/10.1007/s12613-022-2418-3
Abstract:
Si-based photovoltaic solar power has been rapidly developed as a renewable and green energy source. The widespread use of Si-based solar cells requires large amounts of solar-grade Si (SoG-Si) to manufacture Si wafers. Chemical routes, mainly the modified Siemens process, have dominated the preparation of polycrystalline SoG-Si; however, traditional chemical techniques employ a series of complex chemical reactions involving various corrosive and hazardous reagents. In addition, large amounts of complex waste solar cells and Si kerf slurry waste gradually accumulate and are difficult to recycle using these approaches. New methods are required to meet the demand for SoG-Si preparation and Si waste recycling. The metallurgical route shows promise but is hindered by the problem of eliminating B and P from metallurgical-grade Si (MG-Si). Various pyrometallurgical treatments have been proposed to enhance the removal of B and P from MG-Si. This article reviews Si refining with slag treatment, chlorination, vacuum evaporation, and solvent refining, and summarizes and discusses the basic principles and recent representative studies of the four methods. Among these, solvent refining is the most promising and environmentally friendly approach for obtaining low-cost SoG-Si and is a popular research topic. Finally, a simple and green approach, i.e., a combination of solvent refining, slag treatment, or vacuum directional solidification, is proposed for low-cost SoG-Si preparation using MG-Si or Si wastes as raw materials.
Brief Communication
Semi-empirical estimation for enhancing negative thermal expansion in PbTiO3-based perovskites
Tao Yang, Longlong Fan, Yilin Wang, Kun Lin, Jun Chen, and  Xianran Xing
2022, vol. 29, no. 4, pp. 783-786. https://doi.org/10.1007/s12613-021-2390-3
Abstract:
Generally, most materials expand when heated and contract when cooled, whereas negative thermal expansion (NTE) materials are very rare. As a typical NTE material, PbTiO3 and related compounds have drawn particular interest in recent years. The discovery of an enhanced NTE system in PbTiO3 is beneficial to deepen our understanding of its mechanism and regulate its properties. At present, the method of discriminating an enhanced NTE material based on PbTiO3 is not universal. Here, we propose a semi-empirical method through evaluating the average lattice distortion in related systems to estimate the relative coefficient of thermal expansion conveniently. The rationality of the method was verified by the analysis of the 0.6PbTiO3–0.4Bi(GaxFe1−x)O3 system. So far, all PbTiO3-based compounds with enhanced NTE conform well to this method. This method provides the possibility to find more enhanced NTE PbTiO3-based materials.
Research Article
Thermodynamic and thermoelectric properties of titanium oxycarbide with metal vacancy
Bao Zhang, Jiusan Xiao, Shuqiang Jiao, and  Hongmin Zhu
2022, vol. 29, no. 4, pp. 787-795. https://doi.org/10.1007/s12613-022-2421-8
Abstract:
Normal titanium oxycarbide exhibits an excellent electrical conductivity and a high carrier concentration of approximately 1021 cm−3; however, the low Seebeck coefficient limits the thermoelectric application. In this study, first-principle calculations demonstrate that the metal vacancy of titanium oxycarbide weakens the density of state passing through the valence band at the Fermi level, impairing the carrier concentration and enhancing carrier mobility. Thermodynamic analysis justifies the formation of titanium oxycarbide with metal vacancy through solid-state reaction. Transmission electron microscopic images demonstrate the segregation of metal vacancy based on the observation of the defect-rich and single-crystal face-centered cubic regions. Metal vacancy triggers the formation of vacancy-rich and single-crystal face-centered cubic regions. The aggregation of metal vacancy leads to the formation of the vacancy-rich region and other regions with a semi-coherent interface, suppressing the carrier concentration from 1.71 × 1021 to 4.5 × 1020 cm−3 and resulting in the Seebeck coefficient from −11 μV/K of TiC0.5O0.5 to −64 μV/K at 1073 K. Meanwhile, vacancies accelerate electron migration from 1.65 to 4.22 cm−2·V−1·s−1, maintaining high conductivity. The figure of merit (ZT) increases more than five orders of magnitude via the introduction of metal vacancy, with the maximum figure of 2.11 × 10−2 at 1073 K. These results indicate the potential thermoelectric application of metal-oxycarbide materials through vacancy engineering.
Research Article
Second phase refining induced optimization of Fe alloying in Zn: Significantly enhanced strengthening effect and corrosion uniformity
Zhangzhi Shi, Changheng Li, Meng Li, Xiangmin Li, and  Luning Wang
2022, vol. 29, no. 4, pp. 796-806. https://doi.org/10.1007/s12613-022-2468-6
Abstract:
Many non-toxic alloying elements, such as Fe, Ca, and Sr, have negligible solid solubilities in Zn matrix, leading to formation of coarse second phase particles. They exhibit low strengthening effects but highly detrimental to ductility. So refining second phase is a common pursuit for Zn alloys. The present paper takes Zn–0.3Fe alloy suffered from coarse FeZn13 second phase particles as a touchstone to testify microstructure refining effect through solidification with an accelerated speed and multi-pass rolling. FeZn13 particles are refined from 24 to 2 μm, and Zn grains are refined to 5 μm. As a result, the strengthening effect of Fe is enhanced significantly, with yield strength and the ultimate tensile strength of the alloy increased from 132 to 218 MPa and from 159 to 264 MPa, respectively. Furthermore, corrosion non-uniformity and penetration are much alleviated. These results show that microstructure refinement, especially on coarse intermetallic second phases, has a great potential to improve mechanical and degradation properties of biodegradable Zn alloys.
Research Article
Revealing the role of local shear strain partition of transformable particles in a TRIP-reinforced bulk metallic glass composite via digital image correlation
Xiaoyuan Yuan, Yuan Wu, Xiongjun Liu, Hui Wang, Suihe Jiang, and  Zhaoping Lü
2022, vol. 29, no. 4, pp. 807-813. https://doi.org/10.1007/s12613-022-2460-1
Abstract:
The coupling effects of the metastable austenitic phase and the amorphous matrix in a transformation-induced plasticity (TRIP)-reinforced bulk metallic glass (BMG) composite under compressive loading were investigated by employing the digital image correlation (DIC) technique. The evolution of local strain field in the crystalline phase and the amorphous matrix was directly monitored, and the contribution from the phase transformation of the metastable austenitic phase was revealed. Local shear strain was found to be effectively consumed by the displacive phase transformation of the metastable austenitic phase, which relaxed the local strain/stress concentration at the interface and thus greatly enhanced the plasticity of the TRIP-reinforced BMG composites. Our current study sheds light on in-depth understanding of the underlying deformation mechanism and the interplay between the amorphous matrix and the metastable crystalline phase during deformation, which is helpful for design of advanced BMG composites with further improved properties.
Research Article
Isothermal oxidation behavior of Nb-bearing austenitic cast steels at 950°C
Hailong Zhao, Longfei Li, and  Qiang Feng
2022, vol. 29, no. 4, pp. 814-824. https://doi.org/10.1007/s12613-021-2314-2
Abstract:
The oxidation behaviors of three austenitic cast steels with different morphologies of primary carbides at 950°C in air were investigated using scanning electron microscopy, energy dispersive spectroscopy, and focused ion beam/transmission electron microscopy. Their oxidation kinetics followed a logarithmic law, and the oxidation rate can be significantly decreased as long as a continuous silica layer formed at the scale/substrate interface. When the local Si concentration was inadequate, internal oxidation occurred beneath the oxide scale. The spallation of oxides during cooling can be inhibited with the formation of internal oxidation, owing to the reduced mismatch stress between the oxide scale and the substrate. The “Chinese-script” primary Nb(C,N) was superior to the dispersed primary Nb(C,N) in suppressing the oxidation penetration in the interdendritic region by supplying a high density of quick-diffusion Cr channels. In addition, the innermost and outermost oxidation layers were enriched with Cr, whereas the Cr evaporation in the outermost layer was significant when the water vapor concentration in the environment was high enough. These findings further the understanding regarding the oxidation behavior of austenitic cast steels and will promote the alloy development for exhaust components.
Research Article
Data-mining and atmospheric corrosion resistance evaluation of Sn- and Sb-additional low alloy steel based on big data technology
Xiaojia Yang, Jike Yang, Ying Yang, Qing Li, Di Xu, Xuequn Cheng, and  Xiaogang Li
2022, vol. 29, no. 4, pp. 825-835. https://doi.org/10.1007/s12613-022-2457-9
Abstract:
Machine-learning and big data are among the latest approaches in corrosion research. The biggest challenge in corrosion research is to accurately predict how materials will degrade in a given environment. Corrosion big data is the application of mathematical methods to huge amounts of data to find correlations and infer probabilities. It is possible to use corrosion big data method to distinguish the influence of the minimal changes of alloying elements and small differences in microstructure on corrosion resistance of low alloy steels. In this research, corrosion big data evaluation methods and machine learning were used to study the effect of Sb and Sn, as well as environmental factors on the corrosion behavior of low alloy steels. Results depict corrosion big data method can accurately identify the influence of various factors on corrosion resistance of low alloy and is an effective and promising way in corrosion research.
Research ArticleOpen Access
Evaluating data-driven algorithms for predicting mechanical properties with small datasets: A case study on gear steel hardenability
Bogdan Nenchev, Qing Tao, Zihui Dong, Chinnapat Panwisawas, Haiyang Li, Biao Tao, and  Hongbiao Dong
2022, vol. 29, no. 4, pp. 836-847. https://doi.org/10.1007/s12613-022-2437-0
Abstract:
Data-driven algorithms for predicting mechanical properties with small datasets are evaluated in a case study on gear steel hardenability. The limitations of current data-driven algorithms and empirical models are identified. Challenges in analysing small datasets are discussed, and solution is proposed to handle small datasets with multiple variables. Gaussian methods in combination with novel predictive algorithms are utilized to overcome the challenges in analysing gear steel hardenability data and to gain insight into alloying elements interaction and structure homogeneity. The gained fundamental knowledge integrated with machine learning is shown to be superior to the empirical equations in predicting hardenability. Metallurgical-property relationships between chemistry, sample size, and hardness are predicted via two optimized machine learning algorithms: neural networks (NNs) and extreme gradient boosting (XGboost). A comparison is drawn between all algorithms, evaluating their performance based on small data sets. The results reveal that XGboost has the highest potential for predicting hardenability using small datasets with class imbalance and large inhomogeneity issues.
Invited Review
Recent progress in the structure optimization and development of proton-conducting electrolyte materials for low-temperature solid oxide cells
Jia Song, Yuvraj Y. Birdja, Deepak Pant, Zhiyuan Chen, and  Jan Vaes
2022, vol. 29, no. 4, pp. 848-869. https://doi.org/10.1007/s12613-022-2447-y
Abstract:
This work reviews technologies that can be used to develop low-temperature solid oxide cells (LT-SOCs) and can be applied in fuel cells and electrolyzers operating at temperatures below 500°C, thus providing a more cost-effective alternative than conventional high-temperature SOCs. Two routes showing potential to reduce the operating temperature of SOCs to below 500°C are discussed. The first route is the principal way to enhance cell performance, namely, structure optimization. This technique includes the reduction of electrolyte thickness to the nanometer scale and the exploration of electrode structure with low polarization resistance. The other route is the development of novel proton-conducting electrolyte materials, which is in the frontier of SOCs study. The fundamentals of proton conduction and the design principles of commonly used electrolyte materials are briefly explained. The most widely studied electrolyte materials for LT-SOCs, namely, perovskite-type BaCeO3- and BaZrO3-based oxides, and the effect of doping on the physical–chemical properties of these oxide materials are summarized.
Invited Review
Mixed ion and electron transport theory and application in solid oxide conductors
Kevin Huang
2022, vol. 29, no. 4, pp. 870-875. https://doi.org/10.1007/s12613-021-2401-4
Abstract:
Mixed ions and electron conductors (MIECs) are an important family of electrocatalysts for electrochemical devices, such as reversible solid oxide cells, rechargeable metal–air batteries, and oxygen transport membranes. Concurrent ionic and electronic transports in these materials play a key role in electrocatalytic activity. An in-depth fundamental understanding of the transport phenomena is critically needed to develop better MIECs. In this brief review, we introduced generic ionic and electronic transport theory based on irreversible thermodynamics and applied it to practical oxide-based materials with oxygen vacancies and electrons/holes as the predominant defects. Two oxide systems, namely CeO2-based and LaCrO3-based materials, are selected as case studies to illustrate the utility of the transport theory in predicting oxygen partial pressure distribution across MIECs, electrochemical electronic/ionic leakage currents, and the effects of external load current on the leakage currents.
Invited Review
A review on the critical challenges and progress of SiOx-based anodes for lithium-ion batteries
Nana Yao, Yu Zhang, Xianhui Rao, Zhao Yang, Kun Zheng, Konrad Świerczek, and  Hailei Zhao
2022, vol. 29, no. 4, pp. 876-895. https://doi.org/10.1007/s12613-022-2422-7
Abstract:
With the advantages of abundant resources, high specific capacity, and relatively stable cycling performance, silicon suboxides (SiOx, x < 2) have been recently suggested as promising anodes for next-generation lithium-ion batteries (LIBs). SiOx exhibits superior storage capability because of the presence of silicon and smaller volume change upon charge/discharge than Si owing to the buffering effect of the initial lithiation products of inert lithium oxide and lithium silicates, enabling a stable cycle life of electrodes. However, significant improvements, such as overcoming issues related to volume changes in cycling and initial irreversible capacity loss and enhancing the ionic and electronic charge transport in poorly conducting SiOx electrodes, are still needed to achieve the satisfactory performance required for commercial applications. This review summarizes recent progress on the cycling performance and initial coulombic efficiency of SiOx. Advances in the design of particle morphology and composite composition, prelithiation and prereduction methods, and usage of electrolyte additives and optimized electrode binders are discussed. Perspectives on the promising research directions that might lead to further improvement of the electrochemical properties of SiOx-based anodes are noted. This paper can serve as a basis for the research and development of high-energy-density LIBs.
Research Article
Modified Al negative electrode for stable high-capacity Al–Te batteries
Xuefeng Zhang and  Shuqiang Jiao
2022, vol. 29, no. 4, pp. 896-904. https://doi.org/10.1007/s12613-022-2410-y
Abstract:
Metal aluminum batteries (MABs) are considered potential large-scale energy storage devices because of their high energy density, resource abundance, low cost, safety, and environmental friendliness. Given their high electrical conductivity, high theoretical specific capacity, and high discharge potential, Te is considered a potential positive electrode material for MABs. Nonetheless, the critical issues induced by the chemical and electrochemical dissolution of tellurium and subsequent chemical precipitation on bare Al negative electrodes result in poor cycle stability and low discharge capacity of Al–Te batteries. Here an efficient TiB2-based modified layer has been proposed to address bare Al electrodes (Al/TB). Consequently, the low-voltage hysteresis and long cycle life of the Al/TB negative electrode have been achieved. In addition, the electrochemical performance of the Al–Te battery based on the Al/TB negative electrode is dramatically improved. Furthermore, the modified separator technology is introduced to match with the as-designed Al/TB negative electrode. Therefore, the record-setting long-term cycle stability of up to 500 cycles has been achieved in the Al–Te battery. The facile strategy also opens a potential route for other high-energy density battery systems, such as Al–S and Al–Se batteries.