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Structure of Molten MX–NdX3 (M = Na, K, Rb, Cs; X = F, Cl) Salts: Ab Initio Study 熔融MX-NdX3 (M = Na, K, Rb, Cs)的结构X = F, Cl)盐:从头算研究
IF 0.4 Q4 METALLURGY & METALLURGICAL ENGINEERING Pub Date : 2025-01-08 DOI: 10.1134/S0036029524701283
Yu. V. Stulov, S. V. Antipov, S. A. Kuznetsov

Abstract—The structures of model analogs of salt melts containing neodymium complexes are subjected to ab initio studies. The importance of this work is mainly determined by the need to develop methods and technologies for recycling electronic and magnetic materials, which are a secondary source of rare earth metals. Quantum-chemical calculations, in turn, are a powerful tool for studying the structural features of model analogs of real high-temperature salt melts. The calculations are performed by the Hartree–Fock and density functional theory methods using the quantum-chemical Firefly 8.20 software package. An approach is proposed to calculate the interaction energies in a three-component model system consisting of a neodymium complex, an outer-sphere (OS) cation shell, and the remaining part of the cluster. The energies of interaction of the neodymium complex with the system fragments are determined. The influence of the number of OS cations on the calculated interaction energies has been studied, and the compositions of the most stable particles consisting of neodymium complex + OS shell have been determined. The data obtained using quantum-chemical calculations are compared with the results available in the world scientific literature, including the results of direct spectroscopic studies of molten salts containing neodymium complexes. The calculated interatomic distances Nd–X (X = F, Cl) are shown to agree well with the available experimental data. Raman spectra are calculated for 18MCl + M3NdCl6 (M = Na, K, Rb, Cs) model systems, and the calculated and experimental frequencies of the most intense spectral line are shown to be in good agreement. The results obtained allow us to assert that the model systems studied in this work can be used as the minimum possible ones for studying the structures of molten salts using quantum-chemical methods.

摘要:本文对含钕配合物的盐熔体模型类似物的结构进行了从头算研究。这项工作的重要性主要取决于需要开发回收电子和磁性材料的方法和技术,这些材料是稀土金属的二次来源。反过来,量子化学计算是研究真实高温盐熔体模型类似物结构特征的有力工具。利用量子化学软件Firefly 8.20,采用Hartree-Fock和密度泛函理论方法进行计算。提出了一种计算由钕配合物、外球阳离子壳层和团簇剩余部分组成的三组分模型系统相互作用能的方法。测定了钕配合物与体系碎片的相互作用能。研究了OS阳离子数目对计算得到的相互作用能的影响,并确定了由钕配合物+ OS壳层组成的最稳定粒子的组成。利用量子化学计算获得的数据与世界科学文献中现有的结果进行了比较,包括对含钕配合物的熔盐的直接光谱研究结果。计算得到的原子间距离Nd-X (X = F, Cl)与实验数据吻合较好。计算了18MCl + M3NdCl6 (M = Na, K, Rb, Cs)模型体系的拉曼光谱,结果表明,最强烈谱线的计算频率与实验频率吻合较好。所得的结果使我们可以断言,本工作中研究的模型系统可以作为使用量子化学方法研究熔盐结构的最小可能系统。
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引用次数: 0
Effect of Hot Plastic Deformation on the Structure and Properties of New Corrosion-Resistant Nitrogen-Bearing 08Kh17N2AF Martensitic–Ferritic Steel 热塑性变形对新型耐蚀含氮钢08Kh17N2AF马氏体-铁素体组织和性能的影响
IF 0.4 Q4 METALLURGY & METALLURGICAL ENGINEERING Pub Date : 2025-01-08 DOI: 10.1134/S0036029524700897
E. I. Lukin, V. M. Blinov, I. O. Bannykh, E. V. Blinov, M. V. Antsyferova, A. A. Ashmarin, G. S. Seval’nev, K. Yu. Demin, I. N. Lukina, A. V. Zavodov, M. A. Samoilova, D. V. Chernenok, N. I. Mamykin, A. V. Nerutskaya

The effect of hot plastic deformation on the structure and properties of new corrosion-resistant nitrogen-bearing 08Kh17N2AF ferritic–martensitic steel has been investigated. Research data for wedgelike specimens have shown that rolling with a steel reduction up to 70% in the temperature interval 800–1100°C doles not result in specimen failure. Specimens deform uniformly both in the transverse and in the longitudinal directions without cracking on the surface and in the volume. The hardness of 08Kh17N2AF steel reaches a maximum, 41–43 HRC, after rolling in the temperature range 850–1100°C with a reduction of 30–70%. It has been found that 03Kh17N2AF steel rolled in the temperature interval 1000–900°C and cooled in air offers the best combination of strength (HRC = 40, rupture strength σr = 1280 MPa, yield strength σ0.2 = 1010 MPa), ductility (δ = 17.9%, ψ = 58.8%), and impact toughness (KCU+20°C = 0.85 MJ/m2, KCU–70°C = 0.56 MJ/m2). Such a combination of mechanical properties is due to the formation of a fine-grained structure consisting of lath martensite (66%), ferrite (20%), and retained austenite (14%) with thin ferrite and austenite lamellas between martensite laths. A pilot batch of parent sheets and malleable billets made of 08Kh17N2AF steel that are promising for producing high-load products to be used in corrosive media and at low (down to –70°C) temperatures has been prepared.

研究了热塑性变形对新型耐蚀含氮钢08Kh17N2AF铁素体-马氏体组织和性能的影响。楔形试样的研究数据表明,在800-1100°C的温度区间内,轧制时钢的减少量高达70%,不会导致试样失效。试件在横向和纵向上变形均匀,表面和体积不开裂。在850 ~ 1100℃范围内轧制后,08Kh17N2AF钢的硬度达到最大值41 ~ 43 HRC,降低30 ~ 70%。结果表明,03Kh17N2AF钢在1000 ~ 900℃温度区间内轧制后,在空气中冷却后,强度(HRC = 40,断裂强度σr = 1280 MPa,屈服强度σ0.2 = 1010 MPa)、延展性(δ = 17.9%, ψ = 58.8%)和冲击韧性(KCU+20℃= 0.85 MJ/m2, KCU - 70℃= 0.56 MJ/m2)的组合最佳。这种机械性能的组合是由于形成了由板条马氏体(66%)、铁素体(20%)和残余奥氏体(14%)组成的细晶组织,并在马氏体板条之间形成了薄的铁素体和奥氏体薄片。制备了一批由08Kh17N2AF钢制成的母材和可锻铸坯,有望生产用于腐蚀性介质和低温(低至-70°C)的高负荷产品。
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引用次数: 0
Friction Stir Welding of the AlSi10Mg Aluminum Alloy Produced by Selective Laser Melting 选择性激光熔化AlSi10Mg铝合金的搅拌摩擦焊接
IF 0.4 Q4 METALLURGY & METALLURGICAL ENGINEERING Pub Date : 2025-01-08 DOI: 10.1134/S0036029524700939
R. B. Reztsov, V. V. Ovchinnikov

The technological features of friction stir welding of the butt joints of AlSi10Mg alloy powder plates produced by selective laser melting are investigated. The AlSi10Mg alloy plates are grown by selective laser melting at an angle of 90° to a build platform. The ultimate tensile strength of the welded joints of the plates grown by selective laser melting is 274–306 MPa, and the bending angle of the plates is 69°–85°. The fracture of the welded joints occurs along the mixing zone metal. The following two types of porosity are found in the microstructure of the base metal: flattened pores along the boundary of visible melt baths and spherical pores. No porosity is found in the mixing zone metal.

研究了选择性激光熔化AlSi10Mg合金粉末板对接头搅拌摩擦焊接的工艺特点。AlSi10Mg合金板材是通过选择性激光熔化生长在90°角的构建平台。选择激光熔化生长的板材焊接接头的极限抗拉强度为274 ~ 306 MPa,板材弯曲角度为69°~ 85°。焊接接头沿混合区金属发生断裂。在母材微观结构中发现了以下两种类型的孔隙:沿可见熔浴边界的扁平孔隙和球形孔隙。混合区金属未发现孔隙。
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引用次数: 0
Analysis of the Possibility of Estimating Residual Stresses by Nondestructive Eddy Current Testing 无损涡流检测估计残余应力的可能性分析
IF 0.4 Q4 METALLURGY & METALLURGICAL ENGINEERING Pub Date : 2025-01-08 DOI: 10.1134/S0036029524701064
V. S. Shitikov, S. S. Pichugin, I. I. Kudinov

Abstract—The existing methods for controlling residual stresses are analyzed. A quantitative estimation of the stresses in a titanium alloy sample using an eddy current method is experimentally tested. The design of the developed technological equipment for controlled loading of samples is described, and the choice of control conditions is justified.

分析了现有的残余应力控制方法。用涡流法对钛合金试样的应力进行了定量估计。介绍了研制的样品控制上样工艺装置的设计,并对控制条件的选择进行了论证。
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引用次数: 0
Structure and Mechanical Performance of 03Kh17N10M2 Steel Alloyed with Silver 银合金03Kh17N10M2钢的组织与力学性能
IF 0.4 Q4 METALLURGY & METALLURGICAL ENGINEERING Pub Date : 2025-01-08 DOI: 10.1134/S003602952470068X
M. A. Kaplan, A. D. Gorbenko, A. Yu. Ivannikov, A. V. Mikhailova, S. V. Konushkin, A. S. Baikin, K. V. Sergienko, Ya. A. Morozova, E. O. Nasakina, A. G. Kolmakov, M. A. Sevostyanov

The influence of silver additives in an amount of 0.2 and 0.5 wt % on the structure and mechanical properties of 03Kh17N10M2 steel sheets 1 μm thick has been studied. The steel has been obtained by means of argon arc remelting followed by homogenization annealing and hot longitudinal rolling. It has been found that when the silver content rises from 0 to 0.5 wt %, the strength parameters of the steel somewhat decline: σ0.2 and σr drop from 560 to 510 MPa and from 760 to 710 MPa, respectively, and the microhardness decreases from 274 to 250 HV. However, these values remain within the ASTM A240 requirements. In both cases, the fracture surface represents an ensemble of self-similar tough fracture pores (cups). The new type of steel (with a silver content of up to 0.5 wt %) may be efficient in the production of products with pronounced antibacterial properties.

研究了添加0.2 wt %和0.5 wt %银对1 μm厚03Kh17N10M2钢板组织和力学性能的影响。该钢是通过氩弧重熔、均匀退火和纵向热轧得到的。结果表明,当银含量从0 wt %增加到0.5 wt %时,钢的强度参数有所下降,σ0.2和σr分别从560 ~ 510 MPa和760 ~ 710 MPa下降,显微硬度从274 ~ 250 HV下降。然而,这些值仍然在ASTM A240的要求之内。在这两种情况下,裂缝表面都是一个自相似的韧性裂缝孔隙(杯)的集合。这种新型钢(含银量高达0.5 wt %)可有效地用于生产具有明显抗菌性能的产品。
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引用次数: 0
Effect of Heat Treatment on the Residual Stresses, Mechanical Properties, and Texture Formation in VT6 Alloy Samples Fabricated by Selective Laser Melting 热处理对选择性激光熔化VT6合金残余应力、力学性能和织构形成的影响
IF 0.4 Q4 METALLURGY & METALLURGICAL ENGINEERING Pub Date : 2025-01-08 DOI: 10.1134/S0036029524700794
S. V. Skvortsova, A. E. Ivanov, V. S. Spektor, A. V. Shalin, P. A. Smirnov

Titanium alloy VT6 samples fabricated by selective laser melting are studied. The influence of the annealing temperature on the residual stresses, texture formation, and mechanical properties of the titanium alloy samples grown in different directions has been determined.

研究了选择性激光熔化法制备钛合金VT6试样。测定了退火温度对不同方向生长的钛合金试样的残余应力、织构形成和力学性能的影响。
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引用次数: 0
Wear Conditions for a Composite Material Based on an AO20-1 Antifriction Alloy Reinforced with Titanium Particles 钛颗粒增强AO20-1减摩合金复合材料的磨损性能
IF 0.4 Q4 METALLURGY & METALLURGICAL ENGINEERING Pub Date : 2025-01-08 DOI: 10.1134/S0036029524700812
P. A. Bykov, I. E. Kalashnikov, L. I. Kobeleva, A. G. Kolmakov, R. S. Mikheev

Composite material specimens are fabricated by reaction casting by mixing titanium particles to form Al3Ti intermetallic phases. Dry sliding friction tests are carried out according to the scheme of end loading of a fixed sleeve (grade 45 steel) on a rotating disk (specimen) at sliding speeds of 0.25–0.75 m/s and loads of 0.5–3.5 MPa. Wear intensity maps, which determine friction regimes during a test, are constructed. The boundaries and conditions for changing the friction regimes are shown.

采用反应铸造法将钛颗粒混合形成Al3Ti金属间相,制备复合材料试样。干滑动摩擦试验采用45级钢固定套筒在旋转盘(试样)上端部加载的方案,滑动速度为0.25 ~ 0.75 m/s,载荷为0.5 ~ 3.5 MPa。构建磨损强度图,确定测试期间的摩擦状态。给出了改变摩擦状态的边界和条件。
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引用次数: 0
Decarbonization of Steelmaking from the Standpoint of the Electronic Theory of Metal Reduction 从金属还原的电子理论看炼钢的脱碳
IF 0.4 Q4 METALLURGY & METALLURGICAL ENGINEERING Pub Date : 2025-01-08 DOI: 10.1134/S0036029524700903
V. E. Roshchin, A. D. Drozin, P. A. Gamov, K. I. Smirnov

Abstract—The necessity of restructuring the existing steelmaking scheme is justified not only under the pressure of environmental decarbonization requirements, but also under the need to bring steelmaking technologies in line with the level of modern science. The scientific basis of new reduction technologies is shown to be the electronic theory of metal oxidation/reduction, which allows one to consider the thermodynamic and kinetic conditions of processes with partial or complete replacement of fossil carbon-containing reducing agents with hydrogen from a unified standpoint. A comparison of two well-known technologies with zero carbon dioxide emission, namely, iron reduction with “green” hydrogen or iron production by electrolysis of ore, shows a multiple advantage of electrolysis in terms of energy consumption and more favorable kinetic conditions for its implementation. It is concluded that, when an industry development strategy is designed, priority should be given to the electrolysis of ore rather than to the production and use of green hydrogen. The use of hydrogen as a reducing agent can be justified for selective iron extraction from complex ores in plants, such as plasma mine furnaces, plasma reactors, and suspended-slurry reduction reactors, where nitriding would also take place to transform soft iron into steel along with reduction.

摘要:在环境脱碳要求的压力下,在使炼钢技术与现代科学水平接轨的需要下,对现有炼钢方案进行改造的必要性是合理的。新的还原技术的科学基础是金属氧化/还原的电子理论,它允许人们从统一的角度考虑部分或完全用氢替代含碳化石还原剂过程的热力学和动力学条件。通过比较两种众所周知的零二氧化碳排放技术,即“绿色”氢铁还原技术或矿石电解制铁技术,可以看出电解在能耗方面具有多重优势,且其实施的动力学条件更为有利。因此,在制定工业发展战略时,应优先考虑矿石的电解,而不是绿色氢的生产和利用。使用氢作为还原剂可以用于从工厂的复杂矿石中选择性提取铁,例如等离子炉,等离子反应器和悬浮浆还原反应器,在这些反应器中,氮化也会发生,将软铁转化为钢。
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引用次数: 0
Diffusion Coefficients of the ({text{A}}{{{text{l}}}_{{text{2}}}}{text{Cl}}_{7}^{ - }) Anion in the Low-Temperature Chloroaluminate Melt Based on Triethylamine Hydrochloride ({text{A}}{{{text{l}}}_{{text{2}}}}{text{Cl}}_{7}^{ - })阴离子在盐酸三乙胺低温氯铝酸盐熔体中的扩散系数
IF 0.4 Q4 METALLURGY & METALLURGICAL ENGINEERING Pub Date : 2025-01-08 DOI: 10.1134/S0036029524701556
A. V. Borozdin, V. A. Elterman

Abstract—Since the demand for renewable energy sources is still increasing, the main research in the battery industry is focused on the development of safe and high-capacity energy storage systems capable of sustaining high current loads and made of inexpensive and readily available materials. An aluminum-ion battery (AIB) using metallic aluminum as the anode, carbon materials as the cathode, and chloroaluminate ionic liquids as the electrolyte is considered to be among the most promising systems. A low-temperature chloroaluminate melt based on triethylamine hydrochloride (Et3NHCl) is one of inexpensive electrolytes for AIB. This melt can reversibly precipitate/dissolve metallic aluminum due to the presence of the ({text{A}}{{{text{l}}}_{{text{2}}}}{text{Cl}}_{7}^{ - }) ion in it. However, the diffusion of ({text{A}}{{{text{l}}}_{{text{2}}}}{text{Cl}}_{7}^{ - }) ions in the Et3NHCl–AlCl3 system has not been studied previously. In this work, the concentration dependences of the diffusion coefficients of the ({text{A}}{{{text{l}}}_{{text{2}}}}{text{Cl}}_{7}^{ - }) anion are studied using chronopotentiometry in the concentration range N = 1.3–1.95 (where N is the molar ratio of aluminum chloride to organic salt). The diffusion coefficients are shown to increase with an increase in the aluminum chloride content in the melt: from 1.71 × 10–7 (N = 1.3) to 4.50 × 10–7 cm2 s–1 (N = 1.95). A similar behavior can be caused by a decrease in the viscosity of the melts with an increase in the ({text{A}}{{{text{l}}}_{{text{2}}}}{text{Cl}}_{7}^{ - }) concentration. The obtained results show that Et3NHCl–AlCl3 with N = 1.95 is the most suitable electrolyte for operating in AIB. In addition, the electrochemical reduction of the ({text{A}}{{{text{l}}}_{{text{2}}}}{text{Cl}}_{7}^{ - }) ion on the aluminum electrode surface is found to be complicated by the nucleation process, which has the lowest overvoltage at N = 1.95.

摘要:由于对可再生能源的需求仍在不断增加,电池行业的主要研究重点是开发安全、高容量的储能系统,该系统能够承受大电流负载,并且由廉价和易得的材料制成。以金属铝为阳极,碳材料为阴极,氯铝酸盐离子液体为电解质的铝离子电池(AIB)被认为是最有前途的系统之一。基于盐酸三乙胺(Et3NHCl)的低温氯铝酸盐熔体是一种廉价的AIB电解质。由于({text{A}}{{{text{l}}}_{{text{2}}}}{text{Cl}}_{7}^{ - })离子的存在,这种熔体可以可逆地沉淀/溶解金属铝。然而,({text{A}}{{{text{l}}}_{{text{2}}}}{text{Cl}}_{7}^{ - })离子在Et3NHCl-AlCl3体系中的扩散尚未得到研究。在这项工作中,使用时间电位法研究了({text{A}}{{{text{l}}}_{{text{2}}}}{text{Cl}}_{7}^{ - })阴离子在浓度范围N = 1.3-1.95(其中N是氯化铝与有机盐的摩尔比)内扩散系数的浓度依赖性。扩散系数随熔体中氯化铝含量的增加而增加:从1.71 × 10-7 (N = 1.3)增加到4.50 × 10-7 cm2 s-1 (N = 1.95)。随着({text{A}}{{{text{l}}}_{{text{2}}}}{text{Cl}}_{7}^{ - })浓度的增加,熔体粘度的降低也会引起类似的现象。结果表明,N = 1.95的Et3NHCl-AlCl3是最适合在AIB中运行的电解质。此外,发现({text{A}}{{{text{l}}}_{{text{2}}}}{text{Cl}}_{7}^{ - })离子在铝电极表面的电化学还原过程是复杂的成核过程,在N = 1.95时过电压最低。
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引用次数: 0
Computation-Experimental Estimation of the Resistance of the Welding Zone during Electrocontact Welding with an Intermediate Layer 带中间层电接触焊接过程中焊接区电阻的计算-实验估计
IF 0.4 Q4 METALLURGY & METALLURGICAL ENGINEERING Pub Date : 2025-01-08 DOI: 10.1134/S0036029524700940
A. V. Serov, R. A. Latypov, N. V. Serov, V. V. Chernov

Abstract—The results of a computation-experimental estimation of the resistance of the welding zone during electrocontact welding (ECW) of a metal tape through an intermediate layer are presented. Characteristic resistance zones are determined, and the stages of joint formation and the state of resistance during ECW are considered. The influence of the compressive force on the resistance of the joint zone, the welding current, and the heat released in the welding zone at each contact site is analyzed, and dependences for calculating these quantities are presented with allowance for shunting and heating of the materials to be joined. The optimum compressive forces at each ECW stage are determined. Recommendations are given for adjusting the welding current during transitions to the next welding stages.

摘要本文给出了金属带通过中间层进行电接触焊接时焊接区电阻的计算-实验估计结果。确定了节理的特征电阻区,考虑了节理形成的阶段和节理的状态。分析了压缩力对接头区阻力、焊接电流和各接触点焊接区放热的影响,并给出了计算这些量的依赖关系,同时考虑了待连接材料的分流和加热。确定了ECW各阶段的最佳压缩力。对过渡到下一焊接阶段时焊接电流的调整提出了建议。
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引用次数: 0
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Russian Metallurgy (Metally)
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