S. Gambaro , L. Fenocchio , F. Valenza , P. Riani , G. Cacciamani
{"title":"等摩尔 AlCoCrFeNiX(X=Mo、Ta、W)高熵合金的实验和 CALPHAD 联合研究","authors":"S. Gambaro , L. Fenocchio , F. Valenza , P. Riani , G. Cacciamani","doi":"10.1016/j.calphad.2024.102702","DOIUrl":null,"url":null,"abstract":"<div><p>Aiming to evaluate the effect of refractory metal additions to a quinary AlCoCrFeNi High-Entropy Alloy (HEA), three novel equimolar AlCoCrFeNi-X (X = Mo, Ta, W) HEAs were designed, arc-melted, annealed, and characterized by SEM-EDS, XRD and microhardness measurements. CALPHAD thermodynamic calculations were exploited to design compositions and thermal treatments of the selected HEAs as well as to predict constitution and interpret microstructure of the samples. On the other hand, the experimental results contributed to the validation of the in-house built GHEA thermodynamic database (including the Al, Co, Cr, Fe, Ni, Mo, Ta, W elements) used for the calculations. No TCP intermetallic was found to form in the quinary AlCoCrFeNi alloy. However, the formation of σ, Laves-C14 and μ phases was observed in the samples containing Mo, Ta, and W, respectively, in agreement with the most accepted VEC-based phases stabilization criteria. The addition of the refractory metals led to a microhardness increase for all the investigated alloys. Overall, good agreement was observed between experiments and calculations, especially for compositional trends and phase amounts, allowing the database validation and supporting its applicability to phase equilibria simulation in the six-component HEAs belonging to the Al–Co–Cr–Fe–Ni-X (X = Mo, Ta, W) systems.</p></div>","PeriodicalId":9436,"journal":{"name":"Calphad-computer Coupling of Phase Diagrams and Thermochemistry","volume":"85 ","pages":"Article 102702"},"PeriodicalIF":1.9000,"publicationDate":"2024-05-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.sciencedirect.com/science/article/pii/S0364591624000440/pdfft?md5=7e1873fba7c4a1e5f1e508f9f4a9ff86&pid=1-s2.0-S0364591624000440-main.pdf","citationCount":"0","resultStr":"{\"title\":\"Combined experimental and CALPHAD investigation of equimolar AlCoCrFeNiX (X=Mo,Ta,W) High-Entropy Alloys\",\"authors\":\"S. Gambaro , L. Fenocchio , F. Valenza , P. Riani , G. Cacciamani\",\"doi\":\"10.1016/j.calphad.2024.102702\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"<div><p>Aiming to evaluate the effect of refractory metal additions to a quinary AlCoCrFeNi High-Entropy Alloy (HEA), three novel equimolar AlCoCrFeNi-X (X = Mo, Ta, W) HEAs were designed, arc-melted, annealed, and characterized by SEM-EDS, XRD and microhardness measurements. CALPHAD thermodynamic calculations were exploited to design compositions and thermal treatments of the selected HEAs as well as to predict constitution and interpret microstructure of the samples. On the other hand, the experimental results contributed to the validation of the in-house built GHEA thermodynamic database (including the Al, Co, Cr, Fe, Ni, Mo, Ta, W elements) used for the calculations. No TCP intermetallic was found to form in the quinary AlCoCrFeNi alloy. However, the formation of σ, Laves-C14 and μ phases was observed in the samples containing Mo, Ta, and W, respectively, in agreement with the most accepted VEC-based phases stabilization criteria. The addition of the refractory metals led to a microhardness increase for all the investigated alloys. Overall, good agreement was observed between experiments and calculations, especially for compositional trends and phase amounts, allowing the database validation and supporting its applicability to phase equilibria simulation in the six-component HEAs belonging to the Al–Co–Cr–Fe–Ni-X (X = Mo, Ta, W) systems.</p></div>\",\"PeriodicalId\":9436,\"journal\":{\"name\":\"Calphad-computer Coupling of Phase Diagrams and Thermochemistry\",\"volume\":\"85 \",\"pages\":\"Article 102702\"},\"PeriodicalIF\":1.9000,\"publicationDate\":\"2024-05-11\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"https://www.sciencedirect.com/science/article/pii/S0364591624000440/pdfft?md5=7e1873fba7c4a1e5f1e508f9f4a9ff86&pid=1-s2.0-S0364591624000440-main.pdf\",\"citationCount\":\"0\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"Calphad-computer Coupling of Phase Diagrams and Thermochemistry\",\"FirstCategoryId\":\"88\",\"ListUrlMain\":\"https://www.sciencedirect.com/science/article/pii/S0364591624000440\",\"RegionNum\":3,\"RegionCategory\":\"材料科学\",\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"\",\"PubModel\":\"\",\"JCR\":\"Q4\",\"JCRName\":\"CHEMISTRY, PHYSICAL\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"Calphad-computer Coupling of Phase Diagrams and Thermochemistry","FirstCategoryId":"88","ListUrlMain":"https://www.sciencedirect.com/science/article/pii/S0364591624000440","RegionNum":3,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q4","JCRName":"CHEMISTRY, PHYSICAL","Score":null,"Total":0}
引用次数: 0
摘要
为了评估难熔金属添加到二元铝钴铬铁镍高熵合金(HEA)中的影响,我们设计了三种新型等摩尔铝钴铬铁镍-X(X = Mo、Ta、W)HEA,对其进行了电弧熔炼和退火,并通过扫描电子显微镜-电子显微镜、X 射线衍射和显微硬度测量对其进行了表征。利用 CALPHAD 热力学计算设计了所选 HEA 的成分和热处理方法,并预测了样品的构成和微观结构。另一方面,实验结果有助于验证内部建立的 GHEA 热力学数据库(包括用于计算的 Al、Co、Cr、Fe、Ni、Mo、Ta、W 元素)。在二元铝钴铬铁镍合金中没有发现 TCP 金属间化合物。不过,在含有 Mo、Ta 和 W 的样品中分别观察到了σ、Laves-C14 和 μ 相的形成,这与公认的基于 VEC 的相稳定标准是一致的。添加难熔金属会导致所有研究合金的显微硬度增加。总体而言,实验与计算结果,尤其是成分趋势和相量之间存在良好的一致性,从而验证了数据库的有效性,并支持其适用于属于 Al-Co-Cr-Fe-Ni-X(X = Mo、Ta、W)体系的六组份 HEA 的相平衡模拟。
Combined experimental and CALPHAD investigation of equimolar AlCoCrFeNiX (X=Mo,Ta,W) High-Entropy Alloys
Aiming to evaluate the effect of refractory metal additions to a quinary AlCoCrFeNi High-Entropy Alloy (HEA), three novel equimolar AlCoCrFeNi-X (X = Mo, Ta, W) HEAs were designed, arc-melted, annealed, and characterized by SEM-EDS, XRD and microhardness measurements. CALPHAD thermodynamic calculations were exploited to design compositions and thermal treatments of the selected HEAs as well as to predict constitution and interpret microstructure of the samples. On the other hand, the experimental results contributed to the validation of the in-house built GHEA thermodynamic database (including the Al, Co, Cr, Fe, Ni, Mo, Ta, W elements) used for the calculations. No TCP intermetallic was found to form in the quinary AlCoCrFeNi alloy. However, the formation of σ, Laves-C14 and μ phases was observed in the samples containing Mo, Ta, and W, respectively, in agreement with the most accepted VEC-based phases stabilization criteria. The addition of the refractory metals led to a microhardness increase for all the investigated alloys. Overall, good agreement was observed between experiments and calculations, especially for compositional trends and phase amounts, allowing the database validation and supporting its applicability to phase equilibria simulation in the six-component HEAs belonging to the Al–Co–Cr–Fe–Ni-X (X = Mo, Ta, W) systems.
期刊介绍:
The design of industrial processes requires reliable thermodynamic data. CALPHAD (Computer Coupling of Phase Diagrams and Thermochemistry) aims to promote computational thermodynamics through development of models to represent thermodynamic properties for various phases which permit prediction of properties of multicomponent systems from those of binary and ternary subsystems, critical assessment of data and their incorporation into self-consistent databases, development of software to optimize and derive thermodynamic parameters and the development and use of databanks for calculations to improve understanding of various industrial and technological processes. This work is disseminated through the CALPHAD journal and its annual conference.