Engineering atomic-level complexity in high-entropy and complex concentrated alloys
Hyun Seok Oh (Seoul National University)
Kim Sang Jun (Seoul National University)
Khorgolkhuu Odbadrakh (National University of Mongolia, University of Tennessee, Oak Ridge National Laboratory)
Wook Ha Ryu (Seoul National University)
Kook Noh Yoon (Seoul National University)
Sai Mu (Oak Ridge National Laboratory)
Fritz Körmann (TU Delft - (OLD) MSE-7, Max-Planck-Institut für Eisenforschung)
Yuji Ikeda (Max-Planck-Institut für Eisenforschung)
Cemal Cem Tasan (Massachusetts Institute of Technology)
Dierk Raabe (Max-Planck-Institut für Eisenforschung)
Takeshi Egami (University of Tennessee, Oak Ridge National Laboratory)
Eun Soo Park (Seoul National University)
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Abstract
Quantitative and well-targeted design of modern alloys is extremely challenging due to their immense compositional space. When considering only 50 elements for compositional blending the number of possible alloys is practically infinite, as is the associated unexplored property realm. In this paper, we present a simple property-targeted quantitative design approach for atomic-level complexity in complex concentrated and high-entropy alloys, based on quantum-mechanically derived atomic-level pressure approximation. It allows identification of the best suited element mix for high solid-solution strengthening using the simple electronegativity difference among the constituent elements. This approach can be used for designing alloys with customized properties, such as a simple binary NiV solid solution whose yield strength exceeds that of the Cantor high-entropy alloy by nearly a factor of two. This study provides general design rules that enable effective utilization of atomic level information to reduce the immense degrees of freedom in compositional space without sacrificing physics-related plausibility.
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