TY - JOUR
T1 - Engineering atomic-level complexity in high-entropy and complex concentrated alloys
AU - Oh, Hyun Seok
AU - Sang Jun, Kim
AU - Odbadrakh, Khorgolkhuu
AU - Ryu, Wook Ha
AU - Yoon, Kook Noh
AU - Mu, Sai
AU - Körmann, Fritz
AU - Ikeda, Yuji
AU - Tasan, Cemal Cem
AU - Raabe, Dierk
AU - Egami, Takeshi
AU - Park, Eun Soo
PY - 2019
Y1 - 2019
N2 - 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.
AB - 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.
UR - http://www.scopus.com/inward/record.url?scp=85065448932&partnerID=8YFLogxK
U2 - 10.1038/s41467-019-10012-7
DO - 10.1038/s41467-019-10012-7
M3 - Article
AN - SCOPUS:85065448932
SN - 2041-1723
VL - 10
JO - Nature Communications
JF - Nature Communications
IS - 1
M1 - 2090
ER -