High-throughput experimental and Calphad screening of CCAs (Hi-TeCC) - towards new alloys with exceptional mechanical properties

CCA (Hi-TeCC) 的高通量实验和 Calphad 筛选 - 开发具有卓越机械性能的新型合金

• 批准号: 388166069
• 负责人: Professor Dr.-Ing. Christian Haase
• 金额: --
• 依托单位: Institut für Werkstoffanwendungen im Maschinenbau (IWM)
• 依托单位国家: 德国
• 项目类别: Priority Programmes
• 资助国家: 德国
• 项目状态: 未结题
• 来源: https://gepris.dfg.de/gepris/projekt/388166069?language=en
• 关键词: throughput; experimental; Calphad; screening; CCAs

During the past 13 years a new window of opportunity for the design of novel materials was opened by the development of alloys with multi principal elements (MPEAs). MPEAs can be subdivided into single-phase high-entropy alloys (HEAs) and multi-phase compositionally complex alloys (CCAs). Instead of constituting one base element, MPEAs contain five or more principal elements. Hence, a vast space of possible chemical compositions and properties became available, which stimulated intensive research in this field. However, due to the very high number of possible alloy systems, only a small fraction could be investigated so far. Even more alarming, most single-phase, disordered HEAs potentially suitable for structural applications have mechanical properties that cannot compete with established steels and Ni-base alloys. Therefore, precipitation/multi-phase hardening by advancing from single-phase HEAs to multi-phase CCAs is a promising path to improve the mechanical properties of these alloys. This opens a vast field of hitherto unexplored opportunities. In order to explore and make optimal use of HEAs and CCAs, an extensive alloy screening approach, combining high-throughput thermodynamic simulations and experiments is inevitable. This proposal describes a research strategy that meets the issues mentioned above. It also fits and contributes very well to the objectives of the SPP 2006 "Compositionally Complex Alloys - High Entropy Alloys". We will use a methodology that allows high-throughput computational and experimental screening of HEAs/CCAs and facilitates easier design of new alloy systems. Thermodynamic modeling will include development of databases and evaluation of individual ternary systems as a basis for reliable Calphad calculations. Suitable chemical compositions will be determined from Calphad data in order to develop promising multi-phase CCAs. High-throughput production of bulk material with high chemical homogeneity will be performed by rapid alloy development using laser metal deposition (LMD) of elemental powder blends. Promising alloys identified by the first screening step will be subjected to deep screening by thorough characterization of the microstructure evolution and mechanical properties. Finally, the most promising alloy will also be produced following conventional processing by casting, rolling, and annealing to prove producibility in large quantities. We will focus on the Co-Cr-Fe-Mn-Ni system with additions of Al and/or C to extend this alloy system and allow for advancing from single-phase HEAs to multi-phase CCAs. On the one hand, this approach will allow us to develop a better fundamental thermodynamic description and gain a basic understanding of the microstructural features that influence the mechanical properties of HEAs and CCAs. On the other hand, the extension of HEAs towards CCAs enables an application-oriented assessment of design criteria for new advanced structural materials based on the concepts of HEAs.

在过去的13年里，多主元合金的发展为新材料的设计打开了一扇新的机会之窗。MPEA可细分为单相高熵合金(HEAs)和多相成分复杂合金(CCA)。湄公河次区域不是构成一个基本要素，而是包含五个或更多主要要素。因此，可能的化学成分和性质的广阔空间成为可能，这促进了这一领域的深入研究。然而，由于可能的合金系统的数量非常多，到目前为止只有一小部分可以被研究。更令人担忧的是，大多数单相、无序的HEA可能适用于结构应用，其机械性能无法与现有的钢和镍基合金竞争。因此，从单相HEA到多相CCA的析出/多相强化是改善这些合金力学性能的一条很有前途的途径。这开辟了一个广阔的领域，蕴藏着迄今尚未探索的机遇。为了探索和优化利用HEAs和CCA，高通量热力学模拟和实验相结合的广泛的合金筛选方法是不可避免的。本提案描述了一种满足上述问题的研究战略。它也很好地符合和促进了2006年SPP会议“成分复杂的合金--高熵合金”的目标。我们将使用一种方法，允许高通量计算和实验筛选HEAs/CCA，并促进新合金系统的更容易设计。热力学建模将包括开发数据库和评估单独的三元体系，作为可靠的CALPHAD计算的基础。将从CALPHAD数据中确定合适的化学成分，以开发有前景的多相CCA。通过激光金属沉积(LMD)元素粉末混合物的快速合金开发，将实现高通量生产具有高化学均匀度的块体材料。通过第一步筛选确定的有前景的合金将通过对组织演变和力学性能的彻底表征进行深入筛选。最后，最有希望的合金也将在传统工艺下通过铸造、轧制和退火法生产，以证明大批量生产的可行性。我们将重点研究添加Al和/或C的Co-Cr-Fe-Mn-Ni系统，以扩展该合金系统，并允许从单相HEA向多相CCA发展。一方面，这种方法将使我们能够建立更好的基本热力学描述，并对影响HEA和CCA力学性能的微观结构特征有一个基本的了解。另一方面，将家用电器扩展到中国建筑协会，可以根据家用电器的概念对新型先进结构材料的设计标准进行以应用为导向的评估。