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W-concentration dependent radiation-induced amorphization in M23C6 via atomic-scale analysis by Voronoi tessellation 通过 Voronoi 镶嵌法进行原子尺度分析,分析 M23C6 中与 W 浓度相关的辐射诱导非晶化现象
IF 3 Q2 MATERIALS SCIENCE, MULTIDISCIPLINARY Pub Date : 2024-08-01 DOI: 10.1016/j.mtla.2024.102186
Sho Kano , Huilong Yang , Masami Ando , Dai Hamaguchi , Takashi Nozawa , Hiroyasu Tanigawa , Tamaki Shibayama , Hiroaki Abe

Voronoi tessellation was innovatively applied to interpret the high-resolution atomic-scale micrographs of the Cr-W-C ternary M23C6 with and without irradiation to provide mechanistic insight into the phase stability under irradiation. A W concentration-dependent radiation-induced amorphization behavior was observed and the amorphization was confirmed in the 4 W sample (∼12 at.%W). Analysis of the local crystal structure using Voronoi diagrams shows that the average size of each Voronoi cell and its standard deviation are affected by irradiation and W concentration. In addition, the standard deviation of the Voronoi cell size, which is considered an indicator of the uncertainty of the atomic column positions, is also plotted as a function of the lattice parameter change. This mathematical analysis indicates that a higher W concentration tends to cause a more severe disordering of the atomic distribution upon irradiation, which is directly correlated with the occurrence of amorphization.

创新性地应用 Voronoi tessellation 技术解释了有辐照和无辐照时 Cr-W-C 三元 M23C6 的高分辨率原子尺度显微照片,从而从机理上揭示了辐照下的相稳定性。在 4 W 样品(∼12 at.%W)中,观察到了与 W 浓度相关的辐照诱导的非晶化行为,并证实了非晶化。使用 Voronoi 图分析局部晶体结构表明,每个 Voronoi 单元的平均尺寸及其标准偏差都受到辐照和 W 浓度的影响。此外,Voronoi 单元大小的标准偏差也是晶格参数变化的函数,它被认为是原子列位置不确定性的指标。这一数学分析表明,较高的 W 浓度往往会在辐照时导致更严重的原子分布紊乱,这与非晶化的发生直接相关。
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引用次数: 0
Editors for Materialia 材料学》编辑
IF 3 Q2 MATERIALS SCIENCE, MULTIDISCIPLINARY Pub Date : 2024-08-01 DOI: 10.1016/S2589-1529(24)00201-1
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引用次数: 0
Unraveling the potential of Cu addition and cluster hardening in Al-Mg-Si alloys 揭示铝镁硅合金中添加铜和团块硬化的潜力
IF 3 Q2 MATERIALS SCIENCE, MULTIDISCIPLINARY Pub Date : 2024-08-01 DOI: 10.1016/j.mtla.2024.102188
Philip Aster , Phillip Dumitraschkewitz , Peter J. Uggowitzer , Matheus A. Tunes , Florian Schmid , Lukas Stemper , Stefan Pogatscher

With the aim of further exploiting the trade-off between formability and strength in Al alloys, this study addresses the influence of Cu in Al-Mg-Si alloys that achieve simultaneously high strength and high ductility via cluster hardening. The study carefully examines the mechanical properties and strain hardening behavior of various Mg/Si ratios with and without Cu and compares the effects of pre-aging and atypical long-term low-temperature aging treatments at 100°C to conventional heat treatments. Interestingly, in all cases adding Cu improved ductility. In the extremal case cluster hardening plus the addition of Cu quadruples elongation, while keeping yield strength similar to the classical T6 state. The results of the study are discussed with a focus on the dense distribution of clusters and partial hardening phases based on atom probe tomography data. Most importantly, the cluster-hardened alloys exhibit pronounced strain-hardening properties, which we evaluate using a Kocks-Mecking approach in combination with a microstructural analysis in the pre-aging and long-term aging condition. The key finding of the study involves the role of Cu in refining clusters/precipitates, where it causes a substantial increase in number density and volume fraction. This refinement, in combination with strain-induced clustering, contributes significantly to improving the alloys’ overall mechanical performance and underlines the central role of Cu in tailoring microstructural features, especially in alloys primarily strengthened by clusters.

为了进一步利用铝合金在成型性和强度之间的权衡,本研究探讨了铜在铝镁硅合金中的影响,这种合金通过集束硬化可同时获得高强度和高延展性。该研究仔细研究了含铜、不含铜的各种 Mg/Si 比率的机械性能和应变硬化行为,并比较了预时效和 100°C 非典型长期低温时效处理与传统热处理的效果。有趣的是,在所有情况下,添加 Cu 都能提高延展性。在极端情况下,集束硬化和添加铜可使伸长率翻两番,同时使屈服强度与传统的 T6 状态相似。研究结果的讨论重点是基于原子探针断层扫描数据的团簇和部分硬化相的密集分布。最重要的是,团簇硬化合金表现出明显的应变硬化特性,我们采用 Kocks-Mecking 方法,结合老化前和长期老化条件下的微观结构分析,对这些特性进行了评估。这项研究的主要发现涉及铜在细化团簇/沉淀物中的作用,铜会导致团簇/沉淀物的数量密度和体积分数大幅增加。这种细化与应变诱导的团聚相结合,极大地改善了合金的整体机械性能,并强调了铜在定制微观结构特征中的核心作用,尤其是在主要由团聚强化的合金中。
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引用次数: 0
Investigation of foaming and mechanical properties of olefin block copolymer/talc/polypropylene composites in IMD/MIM processes 烯烃嵌段共聚物/铜/聚丙烯复合材料在 IMD/MIM 工艺中的发泡和机械性能研究
IF 3 Q2 MATERIALS SCIENCE, MULTIDISCIPLINARY Pub Date : 2024-08-01 DOI: 10.1016/j.mtla.2024.102185
Tao Feng , Wei Guo , Kui Yan , Feng Zhao , Fankun Zeng , Jialong Zhao

In advancing towards carbon neutrality in the automotive industry, polypropylene (PP) plays a crucial role in improving fuel efficiency and reducing carbon emissions as a pivotal lightweight material. However, PP faces challenges in microcellular foaming, including surface quality concerns, intricate molding parameters, and compromised mechanical strength, limiting its broader application. This research introduces an innovative strategy by integrating Olefin Block Copolymer (OBC) into the Talc/PP composite framework using In-mold Decoration/Microcellular Injection Molding (IMD/MIM) techniques to overcome these limitations. Experimental findings reveal that modulating the OBC proportion substantially enhances the PP composites' functionality. Notably, an inclusion of 10 wt% OBC decreases the material's viscosity, and raising the OBC level to 30 wt% markedly improves surface quality with fewer defects. Analyzing cell configuration confirms OBC's beneficial effect on cell size and distribution, particularly in the homogeneity of cells across the material's layers. For mechanical performance, incorporating OBC increased the impact strength from 13.2 kJ/m² to 17.9 kJ/m², highlighting OBC's potential in enhancing PP's toughness. This study enriches our understanding of optimizing PP-based microcellular foamed materials, supporting the development of next-generation lightweight materials. Future efforts will focus on further refinement of the OBC/Talc/PP system for superior performance and practical industrial viability.

在汽车行业实现碳中和的过程中,聚丙烯(PP)作为一种重要的轻质材料,在提高燃油效率和减少碳排放方面发挥着至关重要的作用。然而,聚丙烯在微孔发泡方面面临着各种挑战,包括表面质量问题、复杂的成型参数和机械强度受损,从而限制了其更广泛的应用。本研究采用模内装饰/微孔注塑成型(IMD/MIM)技术,将烯烃嵌段共聚物(OBC)集成到滑石粉/聚丙烯复合材料框架中,从而引入了一种创新策略,以克服这些限制。实验结果表明,调节 OBC 的比例可大大增强 PP 复合材料的功能。值得注意的是,加入 10 wt% 的 OBC 会降低材料的粘度,而将 OBC 的比例提高到 30 wt% 则会明显改善表面质量,减少缺陷。对细胞结构的分析证实了 OBC 对细胞大小和分布的有利影响,特别是在材料各层细胞的均匀性方面。在机械性能方面,加入 OBC 后,冲击强度从 13.2 kJ/m² 提高到 17.9 kJ/m²,突出了 OBC 在提高聚丙烯韧性方面的潜力。这项研究丰富了我们对优化基于聚丙烯的微孔发泡材料的理解,为下一代轻质材料的开发提供了支持。今后的工作重点将是进一步完善 OBC/Talc/PP 系统,以实现卓越的性能和实际的工业可行性。
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引用次数: 0
The effects of refractory elements on mechanical properties in CoCrNiFe concentrated solid solution alloys across different temperatures 难熔元素对不同温度下 CoCrNiFe 浓固溶体合金机械性能的影响
IF 3 Q2 MATERIALS SCIENCE, MULTIDISCIPLINARY Pub Date : 2024-08-01 DOI: 10.1016/j.mtla.2024.102187
Yongkang Li , Qingqing Ding , Xiao Wei , Ze Zhang , Yanfei Gao , Hongbin Bei

Mo, W and Re are all important strengthening elements in either single phase solid solution (SS) alloys or the SS phases in precipitation-strengthened Ni/Co-based superalloys, of which the compositions are usually complicated. To directly compare the effects of Mo, W and Re on the mechanical properties of concentrated SS alloys, a model CoCrNiFe concentrated SS alloy as the base and three alloys with 3 at.% Mo, W and Re additions are fabricated and their mechanical properties are examined in both quasi-static tensile and creep tests at room and two high temperatures. Experimental and modeling results demonstrate that at room and low temperatures, the order of strengthening effect is W > Mo > Re, in accordance with solid solution strengthening model and thermal activation analysis. On the other hand, Re can significantly decrease the minimum creep rate at 1273 K, primarily due to the reduced diffusivity as confirmed from the diffusion couple analysis.

钼、钨和铼都是单相固溶(SS)合金或沉淀强化镍/钴基超级合金中 SS 相的重要强化元素,这些合金的成分通常比较复杂。为了直接比较 Mo、W 和 Re 对浓缩 SS 合金机械性能的影响,我们制造了一种模型 CoCrNiFe 浓缩 SS 合金作为基体,以及三种添加了 3%Mo、W 和 Re 的合金,并在室温和两种高温下通过准静态拉伸和蠕变试验检验了它们的机械性能。实验和建模结果表明,在室温和低温条件下,根据固溶强化模型和热活化分析,强化效果的顺序为 W > Mo > Re。另一方面,Re 能显著降低 1273 K 时的最小蠕变速率,这主要是由于扩散耦合分析证实了扩散率的降低。
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引用次数: 0
Recycling of Nd−Fe−B sintered magnets into a single phase by solvothermal treatment and CaH2 reduction-diffusion 通过溶热处理和 CaH2 还原扩散将 Nd-Fe-B 烧结磁体回收为单相
IF 3 Q2 MATERIALS SCIENCE, MULTIDISCIPLINARY Pub Date : 2024-08-01 DOI: 10.1016/j.mtla.2024.102189
A. Chetouani, F. Richomme, J.M. Le Breton

Recycling computer hard disk drives from Waste Electrical and Electronic Equipment (WEEE) has been achieved according to a two-step approach that combines solvothermal treatment and CaH2 reduction-diffusion, resulting in the production of a single-phase material. The magnets underwent solvothermal treatment, followed by CaH2 reduction at varying temperatures (200°C, 250°C and 300°C). We examined the impact of CaH2 as a reducing agent on the final product, using X-ray diffraction, Mössbauer spectrometry and SQUID magnetometry. After the solvothermal treatment, the powder contains both Nd2Fe14BHx and Nd(OH)3 phases. At 200°C, Nd(OH)3 was reduced without degradation of the magnetic Nd2Fe14BHx phase, as confirmed by Mössbauer spectrometry. Furthermore, an analysis of the magnetic properties indicates an increase in magnetization after CaO removal, confirming its successful elimination.

从废弃电子电气设备(WEEE)中回收电脑硬盘驱动器的工作是通过溶热处理和 CaH2 还原-扩散相结合的两步法实现的,从而生产出一种单相材料。磁体经过溶热处理,然后在不同温度(200°C、250°C 和 300°C)下进行 CaH2 还原。我们使用 X 射线衍射、莫斯鲍尔光谱仪和 SQUID 磁强计研究了 CaH2 作为还原剂对最终产品的影响。经溶热处理后,粉末中同时含有 Nd2Fe14BHx 和 Nd(OH)3 两相。在 200°C 时,Nd(OH)3 被还原,而磁性 Nd2Fe14BHx 相却没有退化,这一点已被莫斯鲍尔能谱分析证实。此外,对磁性能的分析表明,去除 CaO 后磁化率增加,证明成功消除了 CaO。
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引用次数: 0
Bound metal deposition of stainless steel 316L: Effect of process variables on microstructural and mechanical behaviors 不锈钢 316L 的结合金属沉积:工艺变量对微观结构和机械性能的影响
IF 3 Q2 MATERIALS SCIENCE, MULTIDISCIPLINARY Pub Date : 2024-08-01 DOI: 10.1016/j.mtla.2024.102196
Animesh K. Basak , Alokesh Pramanik , Yeong X. Chen , Chander Prakash , N. Radhika , S. Shankar

The influence of printing variables on microstructural and mechanical behaviors on the 316 L stainless steel (316 L SS), produced via an additive manufacturing process, named as bound metal deposition (BMD), was investigated in this study. The printing parameters varied were infill density, diameter of the nozzle, and thickness of layers, which dictate the mechanical properties, surface roughness, and crack morphology of the samples. Based on the experimental investigation, it was found that the tensile properties were increased when the nozzle diameter and infill density were higher. The highest obtained ultimate tensile strength (UTS) was 402 ± 17 MPa, where the sample was fabricated with the following parameters: 0.40 mm nozzle diameter, 25% infill density, and 0.10 mm layer. The influence of the nozzle diameter also impacted the surface roughness, where a worse surface finish was noticed for the larger nozzle diameter.

本研究调查了印刷变量对 316 L 不锈钢(316 L SS)微观结构和机械性能的影响,该不锈钢是通过一种名为 "结合金属沉积"(BMD)的快速成型工艺生产的。打印参数包括填充密度、喷嘴直径和层厚度,这些参数决定了样品的机械性能、表面粗糙度和裂纹形态。实验研究发现,喷嘴直径和填充密度越大,拉伸性能越高。最高极限拉伸强度(UTS)为 402 ± 17 兆帕,样品的制造参数如下:喷嘴直径为 0.40 毫米,填充密度为 25%,层厚为 0.10 毫米。喷嘴直径对表面粗糙度也有影响,喷嘴直径越大,表面粗糙度越差。
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引用次数: 0
Systematic and quantitative testing simulations and theories on phase coarsening by experiments 通过实验对相粗化的模拟和理论进行系统和定量测试
IF 3 Q2 MATERIALS SCIENCE, MULTIDISCIPLINARY Pub Date : 2024-07-30 DOI: 10.1016/j.mtla.2024.102192
K.G. Wang , X. Li

Microgravity experiments on phase coarsening in solid-liquid mixtures provided an ideal tool to closely and accurately explore the kinetics of phase coarsening because the sedimentation and convective melt flow are eliminated in the International Space Station. In this study, we employed phase-field simulations to systematically investigate the microstructure evolution during phase coarsening at various volume fractions. Simulated microstructure evolution during phase coarsening are compared quantitatively with the microstructure evolution archived from microgravity experiments. Furthermore, kinetics of phase coarsening in Pb-Sn solid-liquid mixtures at various volume fractions is studied theoretically and numerically, which is compared with microgravity experiments. In particular, particle size distribution, relative coarsening rate constants, and scaled maximum particle radii, are predicted from theories, and deduced from microgravity experiments, then calculated from phase-field simulations. This systematic and quantitative study of phase coarsening confirms the consistency to the results from phase-field simulation, microgravity experiments and theories at lower volume fractions, and stimulates more careful microgravity experiments at higher volume fractions (0.7).

由于在国际空间站中不存在沉降和对流熔流,因此固液混合物中的相粗化微重力实验为密切而准确地探索相粗化动力学提供了理想的工具。在本研究中,我们采用相场模拟系统研究了不同体积分数下相粗化过程中的微观结构演变。将模拟的相粗化过程中的微观结构演变与微重力实验中存档的微观结构演变进行了定量比较。此外,还对不同体积分数的铅锑固液混合物中的相粗化动力学进行了理论和数值研究,并与微重力实验进行了比较。特别是粒度分布、相对粗化速率常数和按比例的最大颗粒半径,这些都是通过理论预测、微重力实验推导和相场模拟计算得出的。这种对相粗化的系统和定量研究证实了相场模拟、微重力实验和低体积分数理论结果的一致性,并激励在较高体积分数(≥0.7)下进行更仔细的微重力实验。
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引用次数: 0
Structural evolution and mechanical response of multiple Al Σ5(210) grain boundaries with segregation of solute atoms: First-principles study 具有溶质原子偏析的多个 Al Σ5(210)晶界的结构演变和力学响应:第一原理研究
IF 3 Q2 MATERIALS SCIENCE, MULTIDISCIPLINARY Pub Date : 2024-07-29 DOI: 10.1016/j.mtla.2024.102193
Liang Zhang , Zhihui Zhang , Xuan Zhang , Yasushi Shibuta , Xiaoxu Huang

Grain boundary (GB) segregation of solute atoms is a key factor affecting the microstructure and macroscopic properties of materials. In this study, first-principles calculations were carried out to investigate the effect of solute atoms (Mg and Cu) segregation on the structural evolution and mechanical response of Al ground-state Σ5(210) GB (GB-Ⅰ) and metastable Σ5(210) GBs (GB-Ⅱ and GB-Ⅲ). The GB energy, segregation energy, and the theoretical tensile strength of the multiple Σ5(210) GBs were calculated. The results show that both Mg and Cu atoms tend to segregate in the boundary plane, thus reducing GB energy and improving GB stability. The segregation of Cu atoms reduced the GB energy more significantly than that of Mg atoms. The segregation of solute atoms can change the symmetric GB structure into an asymmetric one or induce GB phase transformation. The theoretical strength of GB-I is weaker than that of the metastable GB-II with higher GB energy, suggesting that grain boundaries with higher energy are not necessarily unstable. In addition, the effect of solute atom segregation on the GB strength depends not only on the type of element but also on the specific GB structure. The weakening effect of Mg segregation in GB-I and GB-II is due to the weak MgAl bond which enlarges the low charge density region of GB and increases the free volume of GB. The strengthening of GB-I and GB-II by Cu segregation mainly depends on the stronger AlCu bond than AlAl bond along the GB fracture path. The enhanced strength of GB-III with Mg and Cu segregation is attributed to the GB structural phase transformation caused by the segregation of solute atoms. The calculation results further elucidate the relationship between element segregation and grain boundary characteristics.

溶质原子的晶界(GB)偏析是影响材料微观结构和宏观性能的一个关键因素。本研究通过第一性原理计算研究了溶质原子(镁和铜)偏析对铝基态Σ5(210) 晶界(GB-Ⅰ)和Σ5(210) 晶界(GB-Ⅱ和GB-Ⅲ)结构演化和力学响应的影响。计算了多重Σ5(210) GB 的 GB 能、偏析能和理论抗拉强度。结果表明,镁原子和铜原子都倾向于在边界面上偏析,从而降低了 GB 能量,提高了 GB 的稳定性。铜原子的偏析比镁原子的偏析更显著地降低了 GB 能量。溶质原子的偏析可将对称的 GB 结构改变为不对称的 GB 结构,或诱发 GB 相变。GB-I 的理论强度弱于具有较高 GB 能量的可转移 GB-II,这表明具有较高能量的晶界并不一定不稳定。此外,溶质原子偏析对 GB 强度的影响不仅取决于元素类型,还取决于具体的 GB 结构。在 GB-I 和 GB-II 中,镁偏析的削弱作用是由于弱镁铝键扩大了 GB 的低电荷密度区,增加了 GB 的自由体积。铜偏析对 GB-I 和 GB-II 的强化作用主要取决于 GB 断裂路径上的 AlCu 键比 AlAl 键更强。镁和铜偏析增强了 GB-III 的强度,这归因于溶质原子偏析引起的 GB 结构相变。计算结果进一步阐明了元素偏析与晶界特征之间的关系。
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引用次数: 0
Mechanical properties of various thermomechanical processed Ti-Mo-Al-Zr and pseudo-binary (Ti-Zr)-Mo shape memory alloys for biomedical applications 用于生物医学应用的各种热机械加工 Ti-Mo-Al-Zr 和伪二元 (Ti-Zr)-Mo 形状记忆合金的机械性能
IF 3 Q2 MATERIALS SCIENCE, MULTIDISCIPLINARY Pub Date : 2024-07-29 DOI: 10.1016/j.mtla.2024.102194
Wan-Ting Chiu , Ryunosuke Hayakawa , Naoki Nohira , Masaki Tahara , Tomonari Inamura , Hideki Hosoda

Shape memory alloys (SMAs) have attracted much attention due to the great demand for biomedical materials. Among the SMAs, the Ti-based SMAs are promising materials owing to their high biocompatibility, non-toxicity, excellent functionalities, and proper mechanical properties. Concerning the Ti-based SMAs, adding other elements is an often-used strategy, and the combinations of the addition materials are unlimited. Among the various Ti-based alloy systems, the Ti-Mo-Al-Zr alloy is one fundamental alloy system, since Mo and Al are served as the specific metals for the calculations of the Mo equivalent and Al equivalent for the evaluation of the alloy stability. While Zr is a neutral element for fine-tuning the properties of the alloys. This fundamental quaternary alloy was thus chosen in this study. In this research series, it has been found that the Ti-5.5Mo-8Al-6Zr alloy performed proper mechanical properties. Therefore, this specific alloy was further subjected to various thermomechanical treatments to further improve its properties. In addition to the Ti-5.5Mo-8Al-6Zr alloy, pseudo-binary alloys of (Ti-Zr)-Mo were also investigated due to their intrinsic low phase transformation temperature compared to the pure Ti and Zr elements. Strategies for the development of these SMAs by conducting thermomechanical treatments have been proposed in this study.

由于对生物医学材料的巨大需求,形状记忆合金(SMA)备受关注。在 SMAs 中,钛基 SMAs 具有很高的生物相容性、无毒性、优异的功能性和适当的机械性能,是一种很有前途的材料。对于钛基 SMA,添加其他元素是一种常用的策略,而且添加材料的组合是无限的。在各种钛基合金体系中,Ti-Mo-Al-Zr 合金是一种基本的合金体系,因为 Mo 和 Al 可作为特定金属,用于计算 Mo 当量和 Al 当量,以评估合金的稳定性。而 Zr 是一种中性元素,用于微调合金的性能。因此,本研究选择了这种基本的四元合金。在这一系列研究中,发现 Ti-5.5Mo-8Al-6Zr 合金具有适当的机械性能。因此,对这种特定合金进一步进行了各种热机械处理,以进一步提高其性能。除 Ti-5.5Mo-8Al-6Zr 合金外,还研究了 (Ti-Zr)-Mo 的假二元合金,因为与纯 Ti 和 Zr 元素相比,它们的固有相变温度较低。本研究提出了通过热机械处理开发这些 SMA 的策略。
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引用次数: 0
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