Engineering atomic-level complexity in high-entropy and complex concentrated alloys
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,...
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Published in | Nature communications Vol. 10; no. 1; p. 2090 |
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Main Authors | , , , , , , , , , , , |
Format | Journal Article |
Language | English |
Published |
England
Nature Publishing Group
07.05.2019
Nature Publishing Group UK Nature Portfolio |
Subjects | |
Online Access | Get full text |
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Summary: | 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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Bibliography: | ObjectType-Article-1 SourceType-Scholarly Journals-1 ObjectType-Feature-2 content type line 23 USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22) Netherlands Organisation for Scientific Research (NWO) National Research Foundation of Korea (NRF) Ministry of Science and ICT (MSIT) (Korea, Republic of) Korea Polar Research Inst. German Research Foundation (DFG) Ministry of Trade, Industry and Energy (MOTIE) (Korea, Republic of) AC05-00OR22725; AC02-06CH11357; NRF-2018M3A7B8060601; 10076474; PD16010; SPP 2006; 15707 |
ISSN: | 2041-1723 2041-1723 |
DOI: | 10.1038/s41467-019-10012-7 |