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The disorder-order transition of FeCuPt nanoparticles with various Cu content 不同铜含量的铁铜铂纳米粒子的无序阶跃转变
IF 4.3 2区 材料科学 Q2 CHEMISTRY, PHYSICAL Pub Date : 2024-11-09 DOI: 10.1016/j.intermet.2024.108561
Chun Wu , Qunshou Wang , Zhiyong Li , Ling Chang , Kai Wang , Wenli Pei , Qiang Wang
The effect of adding a third-element on disorder-order transition of FePt has been demonstrated using FeCuPt alloy as a model. The introduction of Cu leads to an increase in the ordering degree, and a moderate amount of Cu enhancing the most. Density Functional Theory calculations indicate that the disorder-order transition in FePt is influenced by the ordering temperature and vacancy formation energy. FePtCu alloy with a moderate Cu content exhibits the lowest vacancy formation energy in the L10-phase, which promotes the atom diffusion during annealing and resulting in a higher ordering degree. This study summarizes the annealing temperature, time, and thermodynamic or kinetic conditions required to achieve L10-FePtX alloy with superior ordering degrees. The findings offer valuable insights for selecting suitable third-elements and annealing parameters to produce L10-FePtX alloy with enhanced ordering degrees.
以 FeCuPt 合金为模型,证明了添加第三元素对 FePt 无序有序转变的影响。铜的引入会导致有序度的增加,而适量的铜对有序度的影响最大。密度泛函理论计算表明,FePt 的无序-有序转变受有序温度和空位形成能的影响。适量铜含量的 FePtCu 合金在 L10 相表现出最低的空位形成能,这促进了退火过程中的原子扩散,从而导致更高的有序度。本研究总结了获得具有较高有序度的 L10-FePtX 合金所需的退火温度、时间、热力学或动力学条件。研究结果为选择合适的第三元素和退火参数以生产具有更高有序度的 L10-FePtX 合金提供了有价值的见解。
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引用次数: 0
SnPbInBiSb high-entropy solder joints with inhibited interfacial IMC growth and high shear strength 具有抑制界面 IMC 生长和高剪切强度的 SnPbInBiSb 高熵焊点
IF 4.3 2区 材料科学 Q2 CHEMISTRY, PHYSICAL Pub Date : 2024-11-09 DOI: 10.1016/j.intermet.2024.108551
Shuai Wang , Ruyu Tian , Jiayue Wen , Wei Wang , Jiayun Feng , Shang Wang , Yanhong Tian
The rapid advancements in microelectronic devices towards miniaturization and multifunctionality have led to an increasing demand for solder joints that exhibit enhanced mechanical properties and reliability. This study focuses on investigating the high-shear strength of SnPbInBiSb/Cu high-entropy solder joints. The analysis encompasses the microstructure evolution, interfacial reactions, and shear behavior of these solder joints after reflowing at 180 °C. The study reveals the formation of very thin intermetallic compound (IMC) layers, specifically Cu6Sn5 and Cu3Sn, at the SnPbInBiSb/Cu interface with an average thickness of about 1.04 μm following a 10min reflow. Transmission electron microscopy (TEM) analysis illustrates the presence of nanoscale precipitates of InSn3 or Sn3Sb phases dispersed within the Cu6Sn5 IMC. The high mixing entropy of the SnPbInBiSb solder contributes to the suppression of the interfacial IMC growth rate during the reflow process. Notably, the shear strength and fracture behavior of the SnPbInBiSb high-entropy solder joints are significantly influenced by the thickness of the interfacial IMC. In particular, solder joints reflowed at 180 °C for 10 min exhibit a high shear strength of 102.4 MPa with a ductile fracture mode.
随着微电子器件向微型化和多功能化的快速发展,对具有更强机械性能和可靠性的焊点的需求也在不断增加。本研究的重点是研究 SnPbInBiSb/Cu 高熵焊点的高剪切强度。分析包括这些焊点在 180 °C 回流后的微观结构演变、界面反应和剪切行为。研究结果表明,回流 10 分钟后,在 SnPbInBiSb/Cu 接口上形成了非常薄的金属间化合物 (IMC) 层,特别是 Cu6Sn5 和 Cu3Sn,平均厚度约为 1.04 μm。透射电子显微镜(TEM)分析表明,在 Cu6Sn5 IMC 中分散着 InSn3 或 Sn3Sb 相的纳米级沉淀。SnPbInBiSb 焊料的高混合熵有助于抑制回流过程中的界面 IMC 增长率。值得注意的是,SnPbInBiSb 高熵焊点的剪切强度和断裂行为受到界面 IMC 厚度的显著影响。特别是,在 180 °C 下回流 10 分钟的焊点具有 102.4 兆帕的高剪切强度和韧性断裂模式。
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引用次数: 0
Simultaneous optimization of entropy changes and thermal hysteresis in barocaloric compound of Mn3Pt 同时优化 Mn3Pt 棒钙化合物中的熵变和热滞后
IF 4.3 2区 材料科学 Q2 CHEMISTRY, PHYSICAL Pub Date : 2024-11-08 DOI: 10.1016/j.intermet.2024.108558
Xueting Zhao , Kun Zhang , Peng Liu , Qing Guo , Haoyu Wang , Yuanwen Feng , Bing Li
Mn3Pt metal compounds are promising candidates for barocaloric cooling applications for their high thermal conductivity and pressure sensitivity. However, they are constrained by low entropy change and large thermal hysteresis. This study investigates the effects of doping with carbon (C) and nitrogen (N) and substituting with germanium (Ge) on the structure, as well as the thermal and barocaloric effects of Mn3Pt. We found that N and C doping significantly reduces the phase transition temperature and improves pressure sensitivity, although at the cost of reduced entropy change. In contrast, Ge substitution increases the phase transition temperature and enhances the entropy change by 123 %, with Mn3Pt0.8Ge0.2 achieving a maximum entropy change of 22.7 J kg−1 K−1. Additionally, defects were introduced to reduce the phase transition nucleation driving force, thereby lowering the thermal hysteresis to 4 K. This work provides a strategy for the simultaneous optimization of entropy change and thermal hysteresis, advancing the development of efficient and tunable barocaloric materials.
Mn3Pt 金属化合物具有较高的热导率和压力敏感性,因此有望应用于巴氏冷却。然而,它们受到低熵变和大热滞后的限制。本研究调查了掺杂碳(C)和氮(N)以及取代锗(Ge)对 Mn3Pt 结构的影响,以及热效应和巴焦效应。与此相反,Ge 取代提高了相变温度,并将熵变提高了 123%,Mn3Pt0.8Ge0.2 实现了 22.7 J kg-1 K-1 的最大熵变。此外,还引入了缺陷以降低相变成核驱动力,从而将热滞后降低到 4 K。这项工作为同时优化熵变和热滞后提供了一种策略,推动了高效可调巴焦材料的发展。
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引用次数: 0
A high-strength self-propagating-brazed Al0.1CoCrFeNi joint at high temperatures with nano-multilayer foils composed of Ni/Al-Al-FeCo/CrNi filler metal 使用由 Ni/Al-Al-FeCo/CrNi 填充金属组成的纳米多层箔在高温下实现高强度自蔓延钎焊 Al0.1CoCrFeNi 接头
IF 4.3 2区 材料科学 Q2 CHEMISTRY, PHYSICAL Pub Date : 2024-11-08 DOI: 10.1016/j.intermet.2024.108557
Baolei Wu , Weiyuan Yu , Wenqi Zhu , Yang Li
Novel nano-multilayer foils composed of Ni/Al-Al-FeCo/CrNi filler metals were developed for brazing Al0.1CoCrFeNi alloys. These Ni/Al-FeCo/CrNi filler metals, designed using a high-entropy concept, were integrated to increase the mixing entropy and form solid solution structures. This strategic integration was aimed at preventing the formation of intermetallic compounds. The microstructural evolution and shear strength of the brazed joints were investigated by varying the holding time and brazing temperature. The results demonstrated the formation of a defect-free brazing joint, marked by the emergence of a solid solution structure resulting from the higher mixing entropy. With increasing temperature, the contribution of the solid-solution phase to the strengthening effect on the joint was more significant. The maximum shear strengths of the brazed joints were 308.5 MPa and 292.8 MPa at room temperature and 800 °C, respectively. Furthermore, the extended holding time and increased brazing temperature produced a steady increase in the shear strength of the joint with a corresponding transformation in the fracture mechanism from cleavage to ductility. This study introduces a novel process for brazing Al0.1CoCrFeNi and offers a technological paradigm for manufacturing industry at a high temperature (800 °C).
开发了由 Ni/Al-Al-FeCo/CrNi 填充金属组成的新型纳米多层箔,用于钎焊 Al0.1CoCrFeNi 合金。这些采用高熵概念设计的镍/铝-铁-钴/铬镍(Ni/Al-FeCo/CrNi)填充金属被整合在一起,以增加混合熵并形成固溶体结构。这种战略性整合旨在防止金属间化合物的形成。通过改变保温时间和钎焊温度,研究了钎焊接头的微观结构演变和剪切强度。结果表明,由于混合熵较高,出现了固溶结构,从而形成了无缺陷的钎焊接头。随着温度的升高,固溶相对接头强化效果的贡献更加显著。钎焊接头在室温和 800 °C 下的最大剪切强度分别为 308.5 兆帕和 292.8 兆帕。此外,随着保温时间的延长和钎焊温度的升高,接头的剪切强度稳步提高,断裂机制也相应地从劈裂转变为延展。本研究介绍了一种新的 Al0.1CoCrFeNi 钎焊工艺,为高温(800 °C)下的制造业提供了一种技术范例。
{"title":"A high-strength self-propagating-brazed Al0.1CoCrFeNi joint at high temperatures with nano-multilayer foils composed of Ni/Al-Al-FeCo/CrNi filler metal","authors":"Baolei Wu ,&nbsp;Weiyuan Yu ,&nbsp;Wenqi Zhu ,&nbsp;Yang Li","doi":"10.1016/j.intermet.2024.108557","DOIUrl":"10.1016/j.intermet.2024.108557","url":null,"abstract":"<div><div>Novel nano-multilayer foils composed of Ni/Al-Al-FeCo/CrNi filler metals were developed for brazing Al<sub>0.1</sub>CoCrFeNi alloys. These Ni/Al-FeCo/CrNi filler metals, designed using a high-entropy concept, were integrated to increase the mixing entropy and form solid solution structures. This strategic integration was aimed at preventing the formation of intermetallic compounds. The microstructural evolution and shear strength of the brazed joints were investigated by varying the holding time and brazing temperature. The results demonstrated the formation of a defect-free brazing joint, marked by the emergence of a solid solution structure resulting from the higher mixing entropy. With increasing temperature, the contribution of the solid-solution phase to the strengthening effect on the joint was more significant. The maximum shear strengths of the brazed joints were 308.5 MPa and 292.8 MPa at room temperature and 800 °C, respectively. Furthermore, the extended holding time and increased brazing temperature produced a steady increase in the shear strength of the joint with a corresponding transformation in the fracture mechanism from cleavage to ductility. This study introduces a novel process for brazing Al<sub>0.1</sub>CoCrFeNi and offers a technological paradigm for manufacturing industry at a high temperature (800 °C).</div></div>","PeriodicalId":331,"journal":{"name":"Intermetallics","volume":"176 ","pages":"Article 108557"},"PeriodicalIF":4.3,"publicationDate":"2024-11-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142660107","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Effect of Ce content and rolling route on the microstructure and mechanical properties of high-Zn content Al-Zn-Ce alloys 铈含量和轧制工艺对高锌含量 Al-Zn-Ce 合金微观结构和机械性能的影响
IF 4.3 2区 材料科学 Q2 CHEMISTRY, PHYSICAL Pub Date : 2024-11-07 DOI: 10.1016/j.intermet.2024.108559
Z.L. Li , C.Y. Liu
In this study, Al-20 wt%Zn-x wt%Ce alloys (x = 0, 0.1, 0.5, and 1) were fabricated by casting, hot rolling, cold rolling, and solution treatment to investigate the effects of Ce content and rolling route on the microstructure and mechanical properties of high-Zn content Al-Zn-Ce alloys. Ce addition with weight ratio no higher than 0.5 % led to the formation of Al2CeZn2 phases in the Al-20Zn alloy, and the CeZn3 phases were obtained in this alloy when the Ce content increased to 1 %. Rolling effectively disrupted the Ce-containing phases, and the presence of these phases changed the grain structure of the Al-Zn-Ce alloys by affecting their deformation mode during rolling. Dynamic precipitation of Zn phases occurred in the Al-20Zn alloys during rolling. However, the Ce-containing phase consumed a large amount of Zn atoms, and then inhibited the dynamic precipitation of Zn phases in the studied alloys. The alloys with 0.5 wt%Ce addition exhibited the best mechanical properties, and the strengthening mechanism of the Al-Zn-Ce alloys were studied.
本研究通过铸造、热轧、冷轧和固溶处理制造了 Al-20 wt%Zn-x wt%Ce 合金(x = 0、0.1、0.5 和 1),以研究 Ce 含量和轧制路线对高锌含量 Al-Zn-Ce 合金微观结构和力学性能的影响。添加重量比不高于 0.5 % 的 Ce 会在 Al-20Zn 合金中形成 Al2CeZn2 相,当 Ce 含量增加到 1 % 时,合金中会出现 CeZn3 相。轧制有效地破坏了含 Ce 相,这些相的存在通过影响轧制过程中的变形模式改变了 Al-Zn-Ce 合金的晶粒结构。Al-20Zn 合金在轧制过程中发生了锌相的动态沉淀。然而,含 Ce 相消耗了大量 Zn 原子,从而抑制了所研究合金中 Zn 相的动态析出。添加了 0.5 wt%Ce 的合金具有最佳的机械性能,并对 Al-Zn-Ce 合金的强化机理进行了研究。
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引用次数: 0
Initial oxidation behavior of AlCrMoNbTi high-entropy alloys studied by DFT calculations and experiments 通过 DFT 计算和实验研究 AlCrMoNbTi 高熵合金的初始氧化行为
IF 4.3 2区 材料科学 Q2 CHEMISTRY, PHYSICAL Pub Date : 2024-11-05 DOI: 10.1016/j.intermet.2024.108549
Jinpeng Zhang, Qingyao Wu, Chuanlong Yang, Zhenhua Yang, Bingbing Yin, Yi Yang
AlCrMoNbTi high entropy alloy (HEA) has the potential to be an excellent oxidation-resistant refractory high entropy alloy (RHEA) but has been limited by an undesirable oxide layer structure. In this work, the initial oxidation behavior of AlCrMoNbTi HEA was investigated by a combination of experiments and DFT calculations. The results indicate that O atoms tend to occupy the adsorption sites containing Ti atoms. Consequently, Ti atoms are more prone to combine with O atoms, resulting in the formation of compounds, which impedes the formation of protective oxides, such as Al2O3 and Cr2O3. Meanwhile, calculations indicate that Cr atoms can form stable Cr-O bonds in a Ti-rich environment, which can be exploited to improve oxidation resistance by modifying the Cr-rich oxide layer.
AlCrMoNbTi 高熵合金 (HEA) 有潜力成为一种出色的抗氧化难熔高熵合金 (RHEA),但一直受到不良氧化层结构的限制。在这项工作中,通过实验和 DFT 计算相结合的方法研究了 AlCrMoNbTi HEA 的初始氧化行为。结果表明,O 原子倾向于占据含有 Ti 原子的吸附位点。因此,Ti 原子更容易与 O 原子结合,形成化合物,从而阻碍 Al2O3 和 Cr2O3 等保护性氧化物的形成。同时,计算表明,Cr 原子可在富含 Ti 的环境中形成稳定的 Cr-O 键,可通过改变富含 Cr 的氧化物层来提高抗氧化性。
{"title":"Initial oxidation behavior of AlCrMoNbTi high-entropy alloys studied by DFT calculations and experiments","authors":"Jinpeng Zhang,&nbsp;Qingyao Wu,&nbsp;Chuanlong Yang,&nbsp;Zhenhua Yang,&nbsp;Bingbing Yin,&nbsp;Yi Yang","doi":"10.1016/j.intermet.2024.108549","DOIUrl":"10.1016/j.intermet.2024.108549","url":null,"abstract":"<div><div>AlCrMoNbTi high entropy alloy (HEA) has the potential to be an excellent oxidation-resistant refractory high entropy alloy (RHEA) but has been limited by an undesirable oxide layer structure. In this work, the initial oxidation behavior of AlCrMoNbTi HEA was investigated by a combination of experiments and DFT calculations. The results indicate that O atoms tend to occupy the adsorption sites containing Ti atoms. Consequently, Ti atoms are more prone to combine with O atoms, resulting in the formation of compounds, which impedes the formation of protective oxides, such as Al<sub>2</sub>O<sub>3</sub> and Cr<sub>2</sub>O<sub>3</sub>. Meanwhile, calculations indicate that Cr atoms can form stable Cr-O bonds in a Ti-rich environment, which can be exploited to improve oxidation resistance by modifying the Cr-rich oxide layer.</div></div>","PeriodicalId":331,"journal":{"name":"Intermetallics","volume":"176 ","pages":"Article 108549"},"PeriodicalIF":4.3,"publicationDate":"2024-11-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142586870","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Effect of ultra-fine grain zone on mechanical properties of CuCrZr-Hastelloy X bimetallic structure manufactured by laser-directed energy deposition 超细晶粒区对激光定向能沉积制造的 CuCrZr-Hastelloy X 双金属结构机械性能的影响
IF 4.3 2区 材料科学 Q2 CHEMISTRY, PHYSICAL Pub Date : 2024-11-05 DOI: 10.1016/j.intermet.2024.108550
Qian Liang, Yaqi Wang, Chendong Shao, Yueqiao Feng, Fenggui Lu
In this study, CuCrZr-Hastelloy X bimetallic structure featuring an ultra-fine grain zone (UFGZ) near the interface were fabricated by laser-directed energy deposition (L-DED). Samples with UFGZ were obtained with 300 °C preheating, whereas samples without preheating did not contain UFGZ. The microstructures and mechanical properties of samples with and without UFGZ were compared. The formation of UFGZ was attributed to the presence of a spherical phase near the interface, which was identified as Ni (Fe, Cr, Mo). Due to the higher melting point of Hastelloy X compared to CuCrZr, Ni elements mixed into CuCrZr with the flow of the molten pool, solidified first, and served as substrates for the heterogeneous nucleation, ultimately promoting the formation of UFGZ. With 300 °C preheating, the hardness of CuCrZr near the interface increased from 115.07 HV to 148.51 HV due to the presence of UFGZ. And the hardness gap near the interface decreased from 172.58 HV to 147.19 HV, which improved the uniformity of mechanical properties. Moreover, the nanoindentation tests results that UFGZ increased the hardness of the zone near the interface from 1.42 GPa to 1.72 GPa. Tensile test results indicated that the UFGZ altered the fracture mode from brittle to ductile. Samples with UFGZ exhibited ductile fracture, while those without UFGZ exhibited brittle fracture. At room temperature, the tensile strength of samples with UFGZ increased from 298.44 MPa to 347.05 MPa. For tests conducted at 400 °C, the tensile strength increased from 165.12 MPa to 229.53 MPa. This enhancement indicated that UFGZ could improve the strength and toughness of the interface, thereby enhancing the interfacial bonding strength. This study is of great significance for improving the interfacial bonding strength of CuCrZr-Hastelloy X bimetallic structures.
在这项研究中,通过激光能量沉积(L-DED)制备了在界面附近具有超细晶粒区(UFGZ)的 CuCrZr-Hastelloy X 双金属结构。含有 UFGZ 的样品是在 300 ℃ 预热后获得的,而没有预热的样品则不含 UFGZ。比较了含 UFGZ 和不含 UFGZ 样品的微观结构和机械性能。UFGZ 的形成归因于界面附近球形相的存在,经鉴定为 Ni(Fe、Cr、Mo)。由于哈氏合金 X 的熔点比 CuCrZr 高,镍元素随熔池流动混入 CuCrZr 中,首先凝固,成为异质成核的基底,最终促进了 UFGZ 的形成。预热 300 °C,由于 UFGZ 的存在,界面附近 CuCrZr 的硬度从 115.07 HV 上升到 148.51 HV。界面附近的硬度间隙从 172.58 HV 降至 147.19 HV,从而改善了机械性能的均匀性。此外,纳米压痕测试结果表明,UFGZ 使界面附近区域的硬度从 1.42 GPa 提高到 1.72 GPa。拉伸测试结果表明,UFGZ 使断裂模式从脆性转变为韧性。有 UFGZ 的样品表现出韧性断裂,而没有 UFGZ 的样品则表现出脆性断裂。在室温下,含有 UFGZ 的样品的抗拉强度从 298.44 兆帕增加到 347.05 兆帕。在 400 °C 下进行的测试中,抗拉强度从 165.12 兆帕增加到 229.53 兆帕。这一提高表明 UFGZ 可以改善界面的强度和韧性,从而提高界面粘接强度。这项研究对于提高 CuCrZr-Hastelloy X 双金属结构的界面结合强度具有重要意义。
{"title":"Effect of ultra-fine grain zone on mechanical properties of CuCrZr-Hastelloy X bimetallic structure manufactured by laser-directed energy deposition","authors":"Qian Liang,&nbsp;Yaqi Wang,&nbsp;Chendong Shao,&nbsp;Yueqiao Feng,&nbsp;Fenggui Lu","doi":"10.1016/j.intermet.2024.108550","DOIUrl":"10.1016/j.intermet.2024.108550","url":null,"abstract":"<div><div>In this study, CuCrZr-Hastelloy X bimetallic structure featuring an ultra-fine grain zone (UFGZ) near the interface were fabricated by laser-directed energy deposition (L-DED). Samples with UFGZ were obtained with 300 °C preheating, whereas samples without preheating did not contain UFGZ. The microstructures and mechanical properties of samples with and without UFGZ were compared. The formation of UFGZ was attributed to the presence of a spherical phase near the interface, which was identified as Ni (Fe, Cr, Mo). Due to the higher melting point of Hastelloy X compared to CuCrZr, Ni elements mixed into CuCrZr with the flow of the molten pool, solidified first, and served as substrates for the heterogeneous nucleation, ultimately promoting the formation of UFGZ. With 300 °C preheating, the hardness of CuCrZr near the interface increased from 115.07 HV to 148.51 HV due to the presence of UFGZ. And the hardness gap near the interface decreased from 172.58 HV to 147.19 HV, which improved the uniformity of mechanical properties. Moreover, the nanoindentation tests results that UFGZ increased the hardness of the zone near the interface from 1.42 GPa to 1.72 GPa. Tensile test results indicated that the UFGZ altered the fracture mode from brittle to ductile. Samples with UFGZ exhibited ductile fracture, while those without UFGZ exhibited brittle fracture. At room temperature, the tensile strength of samples with UFGZ increased from 298.44 MPa to 347.05 MPa. For tests conducted at 400 °C, the tensile strength increased from 165.12 MPa to 229.53 MPa. This enhancement indicated that UFGZ could improve the strength and toughness of the interface, thereby enhancing the interfacial bonding strength. This study is of great significance for improving the interfacial bonding strength of CuCrZr-Hastelloy X bimetallic structures.</div></div>","PeriodicalId":331,"journal":{"name":"Intermetallics","volume":"176 ","pages":"Article 108550"},"PeriodicalIF":4.3,"publicationDate":"2024-11-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142592697","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
High temperature oxidation behavior of the dual-phase AlCoCr0.5Fe2.5Ni2.5 and single phase Al0.25CoCrFeNi high entropy alloys 双相 AlCoCr0.5Fe2.5Ni2.5 和单相 Al0.25CoCrFeNi 高熵合金的高温氧化行为
IF 4.3 2区 材料科学 Q2 CHEMISTRY, PHYSICAL Pub Date : 2024-11-04 DOI: 10.1016/j.intermet.2024.108553
Han Hu , Fangjie Li , Min Liu , Dongye Yang , Zongxin Zhu , Qin Shen , Zhigang Yu
This study examined both theoretically and experimentally the oxidation behavior of AlCoCr0.5Fe2.5Ni2.5 and Al0.25CoCrFeNi alloys in the time for 10 h and 180 h at 800 °C in air atmosphere. The results showed that the weight gain of the dual-phase AlCoCr0.5Fe2.5Ni2.5 alloy followed the parabolic rate law, while this value persisted almost unchanged for the single-phase Al0.25CoCrFeNi alloy at the same oxidizing condition. Surface analysis of the oxide scale confirmed the formation of Al2O3, Cr2O3 and Fe3O4 oxides. Comparing the experimental results with thermodynamic models and Density functional theory (DFT) calculations suggests that Al and Cr are first oxidized in the AlCoCr0.5Fe2.5Ni2.5 and Al0.25CoCrFeNi alloys, respectively, then outer Fe3O4 scale appeared in the two alloys. The weak resistance to high temperature oxidation of AlCoCr0.5Fe2.5Ni2.5 alloy was mainly ascribed to its high fraction of grain and phase boundaries, as well as the fragmented oxide layer formed due to enhanced element diffusion at the FCC/BCC phase boundaries. The element migration and oxidation process of oxide layers in the two alloys were declared based on thermodynamic and DFT calculations.
本研究从理论和实验两方面考察了 AlCoCr0.5Fe2.5Ni2.5 和 Al0.25CoCrFeNi 合金在空气气氛中 800 °C 下 10 小时和 180 小时的氧化行为。结果表明,在相同的氧化条件下,双相 AlCoCr0.5Fe2.5Ni2.5 合金的增重遵循抛物线速率规律,而单相 Al0.25CoCrFeNi 合金的增重值几乎保持不变。氧化鳞片的表面分析证实了 Al2O3、Cr2O3 和 Fe3O4 氧化物的形成。将实验结果与热力学模型和密度泛函理论(DFT)计算结果进行比较后发现,AlCoCr0.5Fe2.5Ni2.5 和 Al0.25CoCrFeNi 合金中的 Al 和 Cr 首先分别被氧化,然后在这两种合金中出现了外层 Fe3O4 鳞片。AlCoCr0.5Fe2.5Ni2.5合金的抗高温氧化能力较弱,这主要归因于其晶界和相界比例较高,以及在FCC/BCC相界处元素扩散增强而形成的破碎氧化层。根据热力学和 DFT 计算宣布了两种合金中元素的迁移和氧化层的氧化过程。
{"title":"High temperature oxidation behavior of the dual-phase AlCoCr0.5Fe2.5Ni2.5 and single phase Al0.25CoCrFeNi high entropy alloys","authors":"Han Hu ,&nbsp;Fangjie Li ,&nbsp;Min Liu ,&nbsp;Dongye Yang ,&nbsp;Zongxin Zhu ,&nbsp;Qin Shen ,&nbsp;Zhigang Yu","doi":"10.1016/j.intermet.2024.108553","DOIUrl":"10.1016/j.intermet.2024.108553","url":null,"abstract":"<div><div>This study examined both theoretically and experimentally the oxidation behavior of AlCoCr<sub>0.5</sub>Fe<sub>2.5</sub>Ni<sub>2.5</sub> and Al<sub>0.25</sub>CoCrFeNi alloys in the time for 10 h and 180 h at 800 °C in air atmosphere. The results showed that the weight gain of the dual-phase AlCoCr<sub>0.5</sub>Fe<sub>2.5</sub>Ni<sub>2.5</sub> alloy followed the parabolic rate law, while this value persisted almost unchanged for the single-phase Al<sub>0.25</sub>CoCrFeNi alloy at the same oxidizing condition. Surface analysis of the oxide scale confirmed the formation of Al<sub>2</sub>O<sub>3</sub>, Cr<sub>2</sub>O<sub>3</sub> and Fe<sub>3</sub>O<sub>4</sub> oxides. Comparing the experimental results with thermodynamic models and Density functional theory (DFT) calculations suggests that Al and Cr are first oxidized in the AlCoCr<sub>0.5</sub>Fe<sub>2.5</sub>Ni<sub>2.5</sub> and Al<sub>0.25</sub>CoCrFeNi alloys, respectively, then outer Fe<sub>3</sub>O<sub>4</sub> scale appeared in the two alloys. The weak resistance to high temperature oxidation of AlCoCr<sub>0.5</sub>Fe<sub>2.5</sub>Ni<sub>2.5</sub> alloy was mainly ascribed to its high fraction of grain and phase boundaries, as well as the fragmented oxide layer formed due to enhanced element diffusion at the FCC/BCC phase boundaries. The element migration and oxidation process of oxide layers in the two alloys were declared based on thermodynamic and DFT calculations.</div></div>","PeriodicalId":331,"journal":{"name":"Intermetallics","volume":"176 ","pages":"Article 108553"},"PeriodicalIF":4.3,"publicationDate":"2024-11-04","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142578394","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Crystallochemistry, thermodynamic and physical properties of the intermetallic compound Cu3−x(As,Sb) 金属间化合物 Cu3-x(As,Sb)的晶体化学、热力学和物理特性
IF 4.3 2区 材料科学 Q2 CHEMISTRY, PHYSICAL Pub Date : 2024-11-01 DOI: 10.1016/j.intermet.2024.108526
Marianne Mödlinger , Alessia Provino , Pavlo Solokha , Serena De Negri , Federico Caglieris , Michele Ceccardi , Cristina Bernini , Pietro Manfrinetti
During the investigation of the Cu-As-Sb ternary system, we identified the ternary intermetallic Cu3−x(As,Sb) compound. Its crystal structure was solved and refined by single crystal and powder X-ray diffraction. While the binary Cu3−xAs and Cu3−xSb phases crystallize in the hexagonal Cu3P-type (hP24, P63cm) and cubic anti-BiF3-type (cF16, Fm3¯m), respectively, Cu3−x(As,Sb) adopts the cubic Cu6AsSb prototype (cP32, Pm3n). Crystallochemical reasons lead to the exclusion that its structure could be of the UH3-type. Cu3−x(As,Sb) is isotypic with Cu12−xTeSb3; their crystal structure is a stuffed ternary derivative of the Cr3Si-type. SEM-EDX analyses reveal very large compositional ranges for this compound, mostly concerning the Sb/As ratio: 71.1−73.9 at.% Cu, 4.0−24.5 at.% As and 2.5−23.5 at.% Sb, corresponding to about Cu2.5-2.8As0.23-0.98Sb0.23-0.92 (x = 0.2−0.5). The lattice parameter and, consequently, the unit cell volume regularly expand while increasing the Sb/As compositional ratio: a ≈ 7.47 Å for Cu3−xAs0.75Sb0.25, a ≈ 7.65 Å for Cu3−xAs0.25Sb0.75 (averaged values).
Cu3−x(As,Sb) forms either by a peritectic reaction for As-rich compositions, or congruently for the equiatomic Sb/As and Sb-rich compositions. The decomposition- or melting-temperature values decrease as a function of the Sb/As compositional ratio [e.g. peritectic at 710 °C for Cu3−xAs0.75Sb0.25 (Cu72As21Sb7), congruent melting at 690 °C for Cu3−xAs0.50Sb0.50 (Cu72As14Sb14), and at 675 °C for Cu3−xAs0.25Sb0.75 (Cu72As7Sb21)].
Physical properties (electrical resistivity and magnetic susceptibility) indicate that Cu3−x(As,Sb) behaves as a good metal with electrical resistivity decreasing as the Sb/As compositional ratio increases; a peculiar anomaly in the electrical resistivity behavior (heavy-fermions like) was observed at low temperature, the origin of which needs further investigation. The compound is a standard diamagnet.
在研究铜-砷-锑三元体系的过程中,我们发现了三元金属间化合物 Cu3-x(As,Sb)。通过单晶和粉末 X 射线衍射,我们解决并完善了其晶体结构。二元 Cu3-xAs 和 Cu3-xSb 相分别结晶为六方 Cu3P 型(hP24, P63cm)和立方反 BiF3 型(cF16, Fm3¯m),而 Cu3-x(As,Sb) 则采用立方 Cu6AsSb 原型(cP32, Pm3‾n)。由于晶体化学的原因,排除了它可能是 UH3 型结构的可能性。Cu3-x(As,Sb)与 Cu12-xTeSb3 是同型物;它们的晶体结构是一种填充的 Cr3Si- 型三元衍生物。SEM-EDX 分析显示该化合物的成分范围非常大,主要涉及锑/砷比:71.1-73.9%的铜、4.0-24.5%的砷和 2.5-23.5% 的锑,相当于约 Cu2.5-2.8As0.23-0.98Sb0.23-0.92 (x = 0.2-0.5)。随着 Sb/As 成分比的增加,晶格参数以及单位晶胞体积有规律地扩大:Cu3-xAs0.75Sb0.25 的 a ≈ 7.47 Å,Cu3-xAs0.75Sb0.25 的 a ≈ 7.Cu3-x(As,Sb)在富含砷的成分中通过包晶反应形成,或在等原子 Sb/As 和富含锑的成分中通过共晶反应形成。分解温度或熔化温度值随 Sb/As 成分比的变化而降低[例如,Cu3-xAs0.75Sb0.25(Cu3-xAs0.75Sb0.25)在 710 °C 时发生包晶反应]。例如,Cu3-xAs0.75Sb0.25(Cu72As21Sb7)的包晶温度为 710 °C,Cu3-xAs0.50Sb0.50(Cu72As14Sb14)的同熔温度为 690 °C,Cu3-xAs0.25Sb0.75(Cu72As7Sb21)的同熔温度为 675 °C]。物理性质(电阻率和磁感应强度)表明,Cu3-x(As,Sb) 具有良好的金属特性,电阻率随着 Sb/As 成分比的增加而降低;在低温下,电阻率行为出现了异常(类似重铁氧体),其原因需要进一步研究。该化合物是一种标准二元磁体。
{"title":"Crystallochemistry, thermodynamic and physical properties of the intermetallic compound Cu3−x(As,Sb)","authors":"Marianne Mödlinger ,&nbsp;Alessia Provino ,&nbsp;Pavlo Solokha ,&nbsp;Serena De Negri ,&nbsp;Federico Caglieris ,&nbsp;Michele Ceccardi ,&nbsp;Cristina Bernini ,&nbsp;Pietro Manfrinetti","doi":"10.1016/j.intermet.2024.108526","DOIUrl":"10.1016/j.intermet.2024.108526","url":null,"abstract":"<div><div>During the investigation of the Cu-As-Sb ternary system, we identified the ternary intermetallic Cu<sub>3−x</sub>(As,Sb) compound. Its crystal structure was solved and refined by single crystal and powder X-ray diffraction. While the binary Cu<sub>3−x</sub>As and Cu<sub>3−x</sub>Sb phases crystallize in the hexagonal Cu<sub>3</sub>P-type (<em>hP</em>24, <em>P</em>6<sub>3</sub><em>cm</em>) and cubic anti-BiF<sub>3</sub>-type (<em>cF</em>16, <em>Fm</em><span><math><mover><mn>3</mn><mo>¯</mo></mover></math></span><em>m</em>), respectively, Cu<sub>3−x</sub>(As,Sb) adopts the cubic Cu<sub>6</sub>AsSb prototype (<em>cP</em>32, <em>Pm</em><span><math><mrow><mover><mn>3</mn><mo>‾</mo></mover></mrow></math></span><em>n</em>). Crystallochemical reasons lead to the exclusion that its structure could be of the UH<sub>3</sub>-type. Cu<sub>3−x</sub>(As,Sb) is isotypic with Cu<sub>12−x</sub>TeSb<sub>3</sub>; their crystal structure is a stuffed ternary derivative of the Cr<sub>3</sub>Si-type. SEM-EDX analyses reveal very large compositional ranges for this compound, mostly concerning the Sb/As ratio: 71.1−73.9 at.% Cu, 4.0−24.5 at.% As and 2.5−23.5 at.% Sb, corresponding to about Cu<sub>2.5-2.8</sub>As<sub>0.23-0.98</sub>Sb<sub>0.23-0.92</sub> (x = 0.2−0.5). The lattice parameter and, consequently, the unit cell volume regularly expand while increasing the Sb/As compositional ratio: <em>a</em> ≈ 7.47 Å for Cu<sub>3−x</sub>As<sub>0.75</sub>Sb<sub>0.25</sub>, <em>a</em> ≈ 7.65 Å for Cu<sub>3−x</sub>As<sub>0.25</sub>Sb<sub>0.75</sub> (averaged values).</div><div>Cu<sub>3−x</sub>(As,Sb) forms either by a peritectic reaction for As-rich compositions, or congruently for the equiatomic Sb/As and Sb-rich compositions. The decomposition- or melting-temperature values decrease as a function of the Sb/As compositional ratio [<em>e.g</em>. peritectic at 710 °C for Cu<sub>3−x</sub>As<sub>0.75</sub>Sb<sub>0.25</sub> (Cu<sub>72</sub>As<sub>21</sub>Sb<sub>7</sub>), congruent melting at 690 °C for Cu<sub>3−x</sub>As<sub>0.50</sub>Sb<sub>0.50</sub> (Cu<sub>72</sub>As<sub>14</sub>Sb<sub>14</sub>), and at 675 °C for Cu<sub>3−x</sub>As<sub>0.25</sub>Sb<sub>0.75</sub> (Cu<sub>72</sub>As<sub>7</sub>Sb<sub>21</sub>)].</div><div>Physical properties (electrical resistivity and magnetic susceptibility) indicate that Cu<sub>3−x</sub>(As,Sb) behaves as a good metal with electrical resistivity decreasing as the Sb/As compositional ratio increases; a peculiar anomaly in the electrical resistivity behavior (heavy-fermions like) was observed at low temperature, the origin of which needs further investigation. The compound is a standard diamagnet.</div></div>","PeriodicalId":331,"journal":{"name":"Intermetallics","volume":"176 ","pages":"Article 108526"},"PeriodicalIF":4.3,"publicationDate":"2024-11-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142571854","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Oxidation behavior and mechanical properties of a directionally solidified high Nb TiAl based alloy between 800 °C and 900 °C 800 ℃ 至 900 ℃定向凝固的高铌钛铝基合金的氧化行为和机械性能
IF 4.3 2区 材料科学 Q2 CHEMISTRY, PHYSICAL Pub Date : 2024-10-31 DOI: 10.1016/j.intermet.2024.108538
Xuesong Xu , He Liang , Hongsheng Ding , Karl P. Davidson , R.V. Ramanujan , Ruirun Chen , Jingjie Guo , Hengzhi Fu
The high temperature oxidation behavior and mechanical property response of a directionally solidified Ti-46Al-7Nb-0.4W-0.6Cr-0.1B alloy were investigated. The ultimate tensile strength of the alloy at 800 °C, 850 °C and 900 °C are 647 MPa, 590 MPa and 508 MPa, respectively, and the tensile fracture mode changed from brittle cleavage fracture to micro-void accumulation ductile fracture. At lower temperatures Al2O3 forms first, growing along the γ lamellae to form oxide bands aligned with the lamellar orientation. The oxidation mass gain of the alloy after 900 °C/100 h isothermal oxidation is only 0.91 mg/cm2. The oxidation kinetics results show the microalloyed high Nb TiAl alloy has excellent oxidation resistance, which is due to the formation of a TiO2 layer containing Nb, Cr and W, the AlNb2 phase and an Al/Cr rich transition layer above the directionally solidified lamellar matrix.
研究了定向凝固 Ti-46Al-7Nb-0.4W-0.6Cr-0.1B 合金的高温氧化行为和力学性能响应。合金在 800 ℃、850 ℃ 和 900 ℃ 时的极限拉伸强度分别为 647 MPa、590 MPa 和 508 MPa,拉伸断裂模式从脆性劈裂断裂转变为微空洞堆积韧性断裂。在较低温度下,Al2O3 首先形成,沿着 γ 薄片生长,形成与薄片取向一致的氧化带。合金在 900 °C/100 h 等温氧化后的氧化质量增量仅为 0.91 mg/cm2。氧化动力学结果表明,微合金化高 Nb TiAl 合金具有优异的抗氧化性,这是由于在定向凝固的片状基体上方形成了含有 Nb、Cr 和 W 的 TiO2 层、AlNb2 相和富 Al/Cr 过渡层。
{"title":"Oxidation behavior and mechanical properties of a directionally solidified high Nb TiAl based alloy between 800 °C and 900 °C","authors":"Xuesong Xu ,&nbsp;He Liang ,&nbsp;Hongsheng Ding ,&nbsp;Karl P. Davidson ,&nbsp;R.V. Ramanujan ,&nbsp;Ruirun Chen ,&nbsp;Jingjie Guo ,&nbsp;Hengzhi Fu","doi":"10.1016/j.intermet.2024.108538","DOIUrl":"10.1016/j.intermet.2024.108538","url":null,"abstract":"<div><div>The high temperature oxidation behavior and mechanical property response of a directionally solidified Ti-46Al-7Nb-0.4W-0.6Cr-0.1B alloy were investigated. The ultimate tensile strength of the alloy at 800 °C, 850 °C and 900 °C are 647 MPa, 590 MPa and 508 MPa, respectively, and the tensile fracture mode changed from brittle cleavage fracture to micro-void accumulation ductile fracture. At lower temperatures Al<sub>2</sub>O<sub>3</sub> forms first, growing along the γ lamellae to form oxide bands aligned with the lamellar orientation. The oxidation mass gain of the alloy after 900 °C/100 h isothermal oxidation is only 0.91 mg/cm<sup>2</sup>. The oxidation kinetics results show the microalloyed high Nb TiAl alloy has excellent oxidation resistance, which is due to the formation of a TiO<sub>2</sub> layer containing Nb, Cr and W, the AlNb<sub>2</sub> phase and an Al/Cr rich transition layer above the directionally solidified lamellar matrix.</div></div>","PeriodicalId":331,"journal":{"name":"Intermetallics","volume":"176 ","pages":"Article 108538"},"PeriodicalIF":4.3,"publicationDate":"2024-10-31","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142571853","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
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Intermetallics
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