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Role of Grain Boundary Segregation and Nanoprecipitation on the Tensile Properties and Thermal Stability of Dilute Mg–0.7Al–0.3Ca (wt%) Alloy 晶界偏析和纳米沉淀对Mg-0.7Al-0.3Ca (wt%)稀合金拉伸性能和热稳定性的影响
IF 3.9 2区 材料科学 Q2 METALLURGY & METALLURGICAL ENGINEERING Pub Date : 2025-11-25 DOI: 10.1007/s40195-025-01929-8
Xiaoqing Liu, Xiaoguang Qiao, Xiaoye Qiu, Xianke Zhang, Chubin Yang, Dongdong Zhang, Xiurong Zhu, Mingyi Zheng

A dilute Mg–0.7Al–0.3Ca (AX0703, wt%) alloy with high strength is developed via conventional low-temperature extrusion, with tensile yield strength of 376 MPa and elongation of 5.3%. As-extruded AX0703 sample exhibits the bimodal grain structures consisting of dynamically recrystallized (DRXed) ultrafine grains and coarse non-DRXed grains with strong basal texture, which contributes to the strength. The numerous nano-Al2Ca phases were developed in non-DRXed grains during extrusion, which not only generates the remarkable precipitation hardening effect, but also favors the improved thermal stability by retarding recrystallization process. Also, it is found that co-segregations of Al–Ca solutes at DRXed grain boundaries hinder grain growth during heat treatment at 300 °C, contributing to the thermal stability of as-extruded AX0703 alloy. This work provides valuable insights into the development of high-strength and low-alloyed Mg extrusions with high thermostability.

采用常规低温挤压法制备高强度Mg-0.7Al-0.3Ca (AX0703, wt%)稀合金,抗拉屈服强度为376 MPa,伸长率为5.3%。挤压态AX0703试样呈现由动态再结晶(DRXed)超细晶粒和粗大的非DRXed晶粒组成的双峰型晶粒结构,具有较强的基织构,有利于提高强度。挤压过程中,非drxed晶粒中形成了大量的纳米al2ca相,这不仅产生了显著的沉淀硬化效果,而且有利于通过延缓再结晶过程来提高热稳定性。在300℃热处理过程中,Al-Ca溶质在DRXed晶界处的共偏析阻碍了晶粒的长大,有利于挤压态AX0703合金的热稳定性。这项工作为开发具有高热稳定性的高强度和低合金镁合金挤压件提供了有价值的见解。
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引用次数: 0
Correction: Enhanced Hydrogen Embrittlement Resistance in a Vanadium-Alloyed 42CrNiMoV Steel for High-Strength Wind Turbine Bolts 修正:用于高强度风力涡轮机螺栓的42CrNiMoV钒合金钢的抗氢脆性能增强
IF 3.9 2区 材料科学 Q2 METALLURGY & METALLURGICAL ENGINEERING Pub Date : 2025-11-25 DOI: 10.1007/s40195-025-01937-8
Jiang Liu, Fengping Zhao, Wen Shi, Han Dong, Xiaofei Guo
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引用次数: 0
Dissolution Behaviors of Corrosion Products on 316LN Stainless Steel in Simulated Shutdown Acid-Reducing Water Chemistry 316LN不锈钢在模拟停机还酸水化学中腐蚀产物的溶解行为
IF 3.9 2区 材料科学 Q2 METALLURGY & METALLURGICAL ENGINEERING Pub Date : 2025-11-15 DOI: 10.1007/s40195-025-01932-z
Yiran Xiong, Ziyu Zhang, Xinqiang Wu, Jibo Tan, Xiang Wang

The dissolution behaviors of corrosion products on 316LN stainless steel (SS) in simulated shutdown acid-reducing water chemistry were investigated. The outer Fe- and Ni-rich corrosion products formed in borated and lithiated high-temperature water at 300 °C dissolved under the simulated shutdown acid-reducing water chemistry. NiFe2O4 began to dissolve at the initial stage of boration, but the dissolution of Fe3O4 mainly occurred at the low-temperature stage in shutdown acid-reducing phase. Low pH value and low-temperature conditions are conducive to the dissolution of the outer Fe-rich oxides. The potential–pH (E–pH) diagrams and solubility curves of spinel oxides at different temperatures were calculated. The possible dissolution mechanism of corrosion products was discussed.

研究了316LN不锈钢在模拟停机还酸水化学过程中腐蚀产物的溶解行为。在300℃高温硼酸和锂化水中形成的富铁和富镍腐蚀产物在模拟停堆还酸水化学下溶解。NiFe2O4在硼化初期就开始溶解,但溶解主要发生在停酸还原阶段的低温阶段。低pH值和低温条件有利于外层富铁氧化物的溶解。计算了尖晶石氧化物在不同温度下的电位ph (E-pH)图和溶解度曲线。讨论了腐蚀产物可能的溶解机理。
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引用次数: 0
Solute Segregation and Grain Boundary Cohesion of Magnesium Binary Alloys: A First-Principles Study 镁二元合金的溶质偏析和晶界内聚:第一性原理研究
IF 3.9 2区 材料科学 Q2 METALLURGY & METALLURGICAL ENGINEERING Pub Date : 2025-11-14 DOI: 10.1007/s40195-025-01935-w
Hong Ju, Cheng Wang, Wei-Jiang Guo, Zhao-Yuan Meng, Peng Chen, Hui-Yuan Wang

Solute segregation at grain boundaries (GBs) can significantly influence GB cohesion. In this work, the segregation energies of solutes (Zn, Al, Ag, Ca, and Gd) were first investigated at six symmetrical tilt GBs rotating around [0001] axis of Mg, to uncover the impact of GB characteristics on solute segregation behavior. The results reveal that solute segregation propensity is closely related to the local geometric environment of GB sites, but has little correlation with intrinsic GB properties (such as GB misorientation and GB energy). Furthermore, relationships between GB site characteristics and solute segregation tendencies were established. Ca-like solutes tend to occupy GB sites with larger Voronoi volumes (V), while Zn-like solutes prefer GB sites with smaller V as well as smaller shortest bond lengths (SBL). Based on this finding, we further evaluated the segregation capacities of 26 solutes at their most energetically stable segregation sites and their impact on GB cohesion. A descriptor that can effectively capture the strengthening/embrittling potency of segregated solutes on GBs was proposed by performing the crystal orbital Hamilton population (COHP) analyses. It was found that the discrepancies in bond strength between GBs and free surface dominate the solute-strengthening behavior. Finally, a first-principles “design map” regarding the segregation energies and strengthening energies was provided, which offers a database for designing Mg alloys with high fracture toughness.

晶界处的溶质偏析对晶界内聚力有显著影响。在这项工作中,我们首先研究了围绕Mg[0001]轴旋转的六个对称倾斜GB对溶质(Zn, Al, Ag, Ca和Gd)的偏析能,以揭示GB特性对溶质偏析行为的影响。结果表明,溶质偏析倾向与GB位的局部几何环境密切相关,但与GB的内在性质(如GB的错取向和GB的能量)关系不大。此外,还建立了GB位点特征与溶质偏析倾向之间的关系。类ca溶质倾向于占据具有较大Voronoi体积(V)的GB位点,而类zn溶质则倾向于占据具有较小V和较小最短键长(SBL)的GB位点。基于这一发现,我们进一步评估了26种溶质在其能量最稳定的偏析位点的偏析能力及其对GB凝聚力的影响。通过晶体轨道汉米尔顿族(COHP)分析,提出了一个描述子,可以有效地捕捉分离溶质在gb上的强化/脆化效力。发现GBs与自由表面之间的结合强度差异主导了溶质强化行为。最后,给出了偏析能和强化能的第一性原理“设计图”,为高断裂韧性镁合金的设计提供了依据。
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引用次数: 0
Reinforcement Learning in Materials Science: Recent Advances, Methodologies and Applications 材料科学中的强化学习:最新进展、方法和应用
IF 3.9 2区 材料科学 Q2 METALLURGY & METALLURGICAL ENGINEERING Pub Date : 2025-11-11 DOI: 10.1007/s40195-025-01934-x
Jiaye Li, Xinyuan Zhang, Chunlei Shang, Xing Ran, Zhe Wang, Chengjiang Tang, Xiaohang Zhang, Mingshuo Nie, Wei Xu, Xin Lu

In the era of big data, reinforcement learning (RL) has emerged as a powerful data-driven optimization approach in materials science, enabling unprecedented advances in material design and performance improvement. Unlike traditional trial-and-error and physics-based approaches, RL agents autonomously identify optimal strategies across high-dimensional and dynamic design spaces by iterative interactions with complex environments. This capability makes RL especially effective for target optimization and sequential decision-making in challenging materials science problems. In this review, we present a comprehensive overview of fundamental RL algorithms, including Q-learning, deep Q-networks (DQN), actor-critic methods, and deep deterministic policy gradient (DDPG). Then, the core mechanisms, advantages, limitations, and representative applications of RL in materials discovery, property optimization, process control, and manufacturing are discussed systematically. Lastly, key future research directions and opportunities are outlined. The perspectives presented herein aim to foster interdisciplinary collaboration and drive innovation at the frontier of AI‑driven materials science.

在大数据时代,强化学习(RL)已经成为材料科学中一种强大的数据驱动优化方法,使材料设计和性能改进取得了前所未有的进步。与传统的试错法和基于物理的方法不同,RL代理通过与复杂环境的迭代交互,自主识别高维和动态设计空间的最佳策略。这种能力使得强化学习在具有挑战性的材料科学问题的目标优化和顺序决策方面特别有效。在这篇综述中,我们全面概述了基本的强化学习算法,包括q -学习、深度q -网络(DQN)、行动者批评方法和深度确定性策略梯度(DDPG)。然后,系统地讨论了强化学习的核心机制、优势、局限性以及在材料发现、性能优化、过程控制和制造等方面的典型应用。最后,展望了未来的研究方向和机遇。本文提出的观点旨在促进跨学科合作,推动人工智能驱动材料科学前沿的创新。
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引用次数: 0
Influence of Zn and Y on Hot Compression Behavior of Mg-Li-Zn-Y Alloy Zn和Y对Mg-Li-Zn-Y合金热压缩性能的影响
IF 3.9 2区 材料科学 Q2 METALLURGY & METALLURGICAL ENGINEERING Pub Date : 2025-11-07 DOI: 10.1007/s40195-025-01936-9
Di An, Ruizhi Wu, Xiang Wang, Legan Hou, Xiaochun Ma

Mg-8.5Li-5Zn-1Y (wt%) and Mg-8.5Li-7.5Zn-1.5Y (wt%) alloys were prepared by vacuum melting casting method. The thermal flow behavior of the alloys was systematically investigated by isothermal hot compression tests using the Gleeble-3500 thermal mechanical physical simulation system. The tests were conducted under the conditions of the temperature of 473–593 K and the strain rate of 0.001–1 s−1. A modified parameter polynomial constitutive model and thermal processing diagram for the two alloys were constructed. The variation pattern of the unstable region under different Zn and Y contents was analyzed and the safe processing region was determined. The influence of different areas in processing map on dislocation configuration and deformation mechanism was clarified. The results indicate that the higher contents of Zn and Y reduce the instability zone. Processing in the unstable zone only results in < a > slip, while processing in the safe zone initiates < c + a > slip also. The higher contents of Zn and Y reduce the critical deformation temperature for the initiation of < c + a > slip.

采用真空熔铸法制备了Mg-8.5Li-5Zn-1Y (wt%)和Mg-8.5Li-7.5Zn-1.5Y (wt%)合金。采用Gleeble-3500热力学物理模拟系统,对合金的等温热压缩行为进行了系统的研究。试验温度为473 ~ 593 K,应变速率为0.001 ~ 1 s−1。建立了两种合金的修正参数多项式本构模型和热处理图。分析了不同Zn、Y含量下不稳定区变化规律,确定了安全加工区。阐明了加工图中不同区域对位错形态和变形机理的影响。结果表明,较高的Zn和Y含量减少了不稳定区。在不稳定区域的处理只会导致<; a >;滑移,而在安全区域的处理也会引发<; c + a >;滑移。较高的Zn和Y含量降低了引发<; c + a >;滑移的临界变形温度。
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引用次数: 0
Effect of Heat Treatment on Microstructure Evolution and Fracture Mechanism of 30CrMo/316L Multilayered Composites Fabricated by Vacuum Electron Beam Welding and Accumulative Hot Roll Bonding 热处理对真空电子束焊接-累积热轧复合30CrMo/316L多层复合材料组织演变及断裂机制的影响
IF 3.9 2区 材料科学 Q2 METALLURGY & METALLURGICAL ENGINEERING Pub Date : 2025-11-04 DOI: 10.1007/s40195-025-01933-y
Ming-Rong Fan, Tian-Yu Wang, Jing-Gang Suo, Ming-Kun Wang, Ying-Ying Feng, Zong-An Luo

The effects of accumulative hot rolling followed by solution treatment on the microstructural evolution and fracture behavior of 30CrMo/316L multilayered composites have been investigated. A scanning electron microscope equipped with an electron backscatter diffraction probe, a laser confocal microscope, an electron probe microanalysis, and a universal testing machine were employed to characterize the microstructures and mechanical properties. The results indicate that solution treatment transformed the microstructure of the 30CrMo layer from ferrite to martensite, while the 316L layer remained austenitic but transitioned from the rolled to the recrystallized state. Additionally, solution treatment significantly enhanced the mechanical properties of the composite, leading to an increase in yield strength and ultimate tensile strength to 744 and 1106 MPa, respectively—258 and 276 MPa higher than those of the hot-rolled plate. The enhancement in strength is primarily attributed to the formation of high-strength martensite in the 30CrMo layer. During deformation, the composite interface effectively impeded crack propagation and induced step-like deflection. However, the formation of cross-layer grains facilitated crack nucleation at grain boundaries, leading to rapid crack propagation and instantaneous fracture. Therefore, preventing the formation of cross-layer grains during the heat treatment process is crucial, as their presence weakens the interfacial strengthening effect of the composite plate. This study provides valuable insights for the design and development of multi-layered steels.

研究了累积热轧后固溶处理对30CrMo/316L多层复合材料显微组织演变和断裂行为的影响。采用带电子背散射衍射探针的扫描电镜、激光共聚焦显微镜、电子探针显微分析和万能试验机对材料的显微组织和力学性能进行了表征。结果表明:固溶处理使30CrMo层的组织由铁素体转变为马氏体,而316L层的组织仍为奥氏体,但由轧制状态转变为再结晶状态。固溶处理显著提高了复合材料的力学性能,屈服强度和极限抗拉强度分别提高到744和1106 MPa,比热轧板分别提高258和276 MPa。强度的提高主要是由于在30CrMo层中形成了高强度马氏体。在变形过程中,复合材料界面有效地阻止了裂纹扩展,引起了阶梯状挠曲。然而,跨层晶粒的形成促进了晶界处的裂纹形核,导致裂纹快速扩展和瞬时断裂。因此,在热处理过程中防止跨层晶粒的形成是至关重要的,因为它们的存在削弱了复合材料板的界面强化效果。该研究为多层钢的设计和开发提供了有价值的见解。
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引用次数: 0
Achieving an Extraordinary Strength–Ductility Synchronization in TA15 Titanium Alloy via Tailoring a Tri-modal Microstructure 通过调整三模态微观结构实现TA15钛合金强度-延展性的非凡同步
IF 3.9 2区 材料科学 Q2 METALLURGY & METALLURGICAL ENGINEERING Pub Date : 2025-10-25 DOI: 10.1007/s40195-025-01928-9
Qi-Mei Tian, Fu Xiao, Ya Yang, Yuan-Biao Tan, Song Xiang, Xuan-Ming Ji, Fei Zhao, Hui Yang

A tri-modal microstructure consisting of equiaxed α phase, acicular α phase and β transformed matrix was achieved in TA15 titanium alloy processed by hot rolling and short-time annealing in this work. The mechanical properties and strengthening mechanisms of TA15 titanium alloy with a tri-modal microstructure were investigated. During the annealing treatment, the volume fraction of acicular α phase decreased gradually with increasing the annealing temperature. Furthermore, with the increase in annealing time, the volume fraction of α phase increased. When the hot-rolled TA15 titanium alloy was annealed at 750 °C for 30 min, a tri-modal microstructure consisting of equiaxed α phase (9.63%/4.56 μm), acicular α phase (70.21%/0.22 μm), and β transformed matrix (20.16%) was obtained. The yield strength, ultimate tensile strength, and elongation of the alloy after annealing at 750 °C for 30 min were 982.8 MPa, 1096.5 MPa, and 11.72%, respectively. The highest strength–ductility product (12,851 MPa%) was obtained for the alloy annealed at 750 °C for 30 min, which exhibited an extraordinary strength–ductility synchronization.

经热轧短时间退火处理的TA15钛合金获得了由等轴α相、针状α相和β相变基体组成的三模态组织。研究了具有三模态组织的TA15钛合金的力学性能和强化机理。退火过程中,针状α相的体积分数随退火温度的升高而逐渐减小。随着退火时间的延长,α相的体积分数增大。热轧TA15钛合金经750℃退火30 min后,得到由等轴α相(9.63%/4.56 μm)、针状α相(70.21%/0.22 μm)和β相变基体(20.16%)组成的三模态组织。750℃退火30 min后,合金的屈服强度、极限抗拉强度和延伸率分别为982.8 MPa、1096.5 MPa和11.72%。在750℃退火30 min时,合金的强度-塑性乘积最高,为12,851 MPa%,表现出优异的强度-塑性同步。
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引用次数: 0
Unraveling the Discontinuous Dynamic Recrystallization of the TC17 Titanium Alloy during Hot Deformation by Crystal Plasticity Modeling 用晶体塑性模型揭示TC17钛合金热变形过程中不连续动态再结晶
IF 3.9 2区 材料科学 Q2 METALLURGY & METALLURGICAL ENGINEERING Pub Date : 2025-10-21 DOI: 10.1007/s40195-025-01927-w
Xiangru Guo, Jian Zhang, Tieqiang Kong, Junjie Shen, Qingjian Liu, Chaoyang Sun, Peipei Li

A dislocation density-based crystal plasticity finite element (CPFE) model is developed to reveal the mechanism of discontinuous dynamic recrystallization (DDRX) of the TC17 dual-phase titanium alloy during hot deformation. The model incorporates the temperature and strain rate dependence of nucleation, growth and evolution during DDRX. The evolution of the dislocation densities in the matrix grains (MGs) and the recrystallized grains (RGs) is considered individually. The mechanical response and underlying microstructural evolution are systematically investigated by comparing the CPFE model predictions with experimental tests. The results indicate that at lower temperatures (700 °C and 800 °C), TC17 titanium alloy exhibits a higher volume fraction of recrystallization and a notable drop in flow stress. As the temperature increases (900 °C and 1000 °C), the volume fraction of recrystallization decreases, resulting in a weakened flow stress softening. The nucleation rate of DDRX increases with decreasing deformation temperature and increasing strain rate, while the size of RGs increases with higher temperature and lower strain rate. DDRX nuclei primarily occur at grain boundaries with high dislocation density. Furthermore, DDRX consumes a large number of dislocations and thus reduces the stress concentration and dislocation density at grain boundaries. This study provides a robust model that enhances the understanding of hot deformation mechanisms and informs the design of high-performance titanium alloys for future applications.

建立了基于位错密度的晶体塑性有限元模型,揭示了TC17双相钛合金在热变形过程中的不连续动态再结晶(DDRX)机理。该模型考虑了DDRX过程中成核、生长和演化对温度和应变速率的依赖关系。分别考虑了基体晶粒和再结晶晶粒中位错密度的演变。通过比较CPFE模型预测和实验测试,系统地研究了力学响应和潜在的微观结构演变。结果表明:在较低温度下(700℃和800℃),TC17钛合金的再结晶体积分数较高,流动应力明显下降;随着温度的升高(900℃和1000℃),再结晶的体积分数降低,导致流变应力软化减弱。DDRX的形核速率随变形温度的降低和应变速率的增大而增大,而RGs的尺寸随变形温度的升高和应变速率的降低而增大。DDRX核主要出现在位错密度高的晶界处。此外,DDRX消耗了大量位错,从而降低了晶界处的应力集中和位错密度。该研究提供了一个强大的模型,增强了对热变形机制的理解,并为未来应用的高性能钛合金的设计提供了信息。
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引用次数: 0
Characterization of σ/Matrix Interface in Ni-Based Single Crystal Superalloys ni基单晶高温合金中σ/基体界面的表征
IF 3.9 2区 材料科学 Q2 METALLURGY & METALLURGICAL ENGINEERING Pub Date : 2025-10-16 DOI: 10.1007/s40195-025-01931-0
Lingyi Kong, Xingpu Zhang, Pengfei Yue, Wanshun Xia, Zhe Hong, Xinbao Zhao, Jiangwei Wang, Ze Zhang

The presence of topologically close-packed (TCP) phases is known to deteriorate the mechanical properties of Ni-based single crystal (SX) superalloy, which not only depletes the strengthening refractory elements from the γ' phase, but also contributes to the material failure due to the weak TCP/matrix interface. This study explores the interface between σ and γ' in a creep-fractured Ni-based single crystal superalloy, with a specific focus on the atomic interfacial structures and Co segregation. The σ phase was observed to be orientated with γ' as both [110]σ//[110]γ' and [4({overline{text{1}}})0]σ//[011]γ', but always possess a habit plane of (001)σ//(1({overline{text{1}}})1)γ'. Furthermore, significant Co segregation occurred between the σ and γ', leading to the reinforced interfacial strength. Theoretical calculation indicates that the enhanced interfacial strength can be attributed to the accumulated charge density across the σ/γ interface with the Co segregation. These findings provide insight into the TCP/matrix interface and the role of interfacial solute segregation, which would benefit the design of Ni-based SX superalloys.

拓扑紧密堆积(TCP)相的存在会导致ni基单晶(SX)高温合金的力学性能恶化,不仅会消耗γ′相中的强化耐火元素,还会由于TCP/基体界面弱而导致材料失效。本研究探讨了蠕变断裂镍基单晶高温合金中σ和γ′之间的界面,特别关注了原子界面结构和Co偏析。观察到σ相与γ′取向为[110]σ//[110]γ′和[4 ({overline{text{1}}}) 0]σ//[011]γ′,但始终具有习惯面(001)σ//(1 ({overline{text{1}}}) 1)γ′。此外,在σ和γ′之间发生了明显的Co偏析,导致界面强度增强。理论计算表明,界面强度的增强可归因于Co偏析作用下σ/γ界面上电荷密度的累积。这些发现有助于深入了解TCP/基体界面以及界面溶质偏析的作用,这将有利于镍基SX高温合金的设计。
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引用次数: 0
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Acta Metallurgica Sinica-English Letters
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