Feng Rui, Zhang Chuan, Gao Michael C, Pei Zongrui, Zhang Fan, Chen Yan, Ma Dong, An Ke, Poplawsky Jonathan D, Ouyang Lizhi, Ren Yang, Hawk Jeffrey A, Widom Michael, Liaw Peter K
Department of Materials Science and Engineering, The University of Tennessee, Knoxville, TN, USA.
Neutron Scattering Division, Oak Ridge National Laboratory, Oak Ridge, TN, USA.
Nat Commun. 2021 Jul 15;12(1):4329. doi: 10.1038/s41467-021-24523-9.
Developing affordable and light high-temperature materials alternative to Ni-base superalloys has significantly increased the efforts in designing advanced ferritic superalloys. However, currently developed ferritic superalloys still exhibit low high-temperature strengths, which limits their usage. Here we use a CALPHAD-based high-throughput computational method to design light, strong, and low-cost high-entropy alloys for elevated-temperature applications. Through the high-throughput screening, precipitation-strengthened lightweight high-entropy alloys are discovered from thousands of initial compositions, which exhibit enhanced strengths compared to other counterparts at room and elevated temperatures. The experimental and theoretical understanding of both successful and failed cases in their strengthening mechanisms and order-disorder transitions further improves the accuracy of the thermodynamic database of the discovered alloy system. This study shows that integrating high-throughput screening, multiscale modeling, and experimental validation proves to be efficient and useful in accelerating the discovery of advanced precipitation-strengthened structural materials tuned by the high-entropy alloy concept.
开发价格合理且重量轻的替代镍基高温合金的高温材料，极大地增加了设计先进铁素体高温合金的努力。然而，目前开发的铁素体高温合金仍然表现出较低的高温强度，这限制了它们的使用。在此，我们使用基于CALPHAD的高通量计算方法来设计用于高温应用的轻质、高强度且低成本的高熵合金。通过高通量筛选，从数千种初始成分中发现了沉淀强化的轻质高熵合金，与其他同类合金相比，它们在室温和高温下均表现出更高的强度。对其强化机制和有序-无序转变中成功与失败案例的实验和理论理解，进一步提高了所发现合金体系热力学数据库的准确性。这项研究表明，将高通量筛选、多尺度建模和实验验证相结合，在加速发现由高熵合金概念调整的先进沉淀强化结构材料方面被证明是高效且有用的。
