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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,...
Autores principales: | , , , , , , , , , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
Nature Publishing Group UK
2019
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6504951/ https://www.ncbi.nlm.nih.gov/pubmed/31064988 http://dx.doi.org/10.1038/s41467-019-10012-7 |
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author | Oh, Hyun Seok Kim, Sang Jun Odbadrakh, Khorgolkhuu Ryu, Wook Ha Yoon, Kook Noh Mu, Sai Körmann, Fritz Ikeda, Yuji Tasan, Cemal Cem Raabe, Dierk Egami, Takeshi Park, Eun Soo |
author_facet | Oh, Hyun Seok Kim, Sang Jun Odbadrakh, Khorgolkhuu Ryu, Wook Ha Yoon, Kook Noh Mu, Sai Körmann, Fritz Ikeda, Yuji Tasan, Cemal Cem Raabe, Dierk Egami, Takeshi Park, Eun Soo |
author_sort | Oh, Hyun Seok |
collection | PubMed |
description | 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. |
format | Online Article Text |
id | pubmed-6504951 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2019 |
publisher | Nature Publishing Group UK |
record_format | MEDLINE/PubMed |
spelling | pubmed-65049512019-05-09 Engineering atomic-level complexity in high-entropy and complex concentrated alloys Oh, Hyun Seok Kim, Sang Jun Odbadrakh, Khorgolkhuu Ryu, Wook Ha Yoon, Kook Noh Mu, Sai Körmann, Fritz Ikeda, Yuji Tasan, Cemal Cem Raabe, Dierk Egami, Takeshi Park, Eun Soo Nat Commun Article 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. Nature Publishing Group UK 2019-05-07 /pmc/articles/PMC6504951/ /pubmed/31064988 http://dx.doi.org/10.1038/s41467-019-10012-7 Text en © The Author(s) 2019 Open Access This article is licensed under a Creative Commons Attribution 4.0 International License, which permits use, sharing, adaptation, distribution and reproduction in any medium or format, as long as you give appropriate credit to the original author(s) and the source, provide a link to the Creative Commons license, and indicate if changes were made. The images or other third party material in this article are included in the article’s Creative Commons license, unless indicated otherwise in a credit line to the material. If material is not included in the article’s Creative Commons license and your intended use is not permitted by statutory regulation or exceeds the permitted use, you will need to obtain permission directly from the copyright holder. To view a copy of this license, visit http://creativecommons.org/licenses/by/4.0/. |
spellingShingle | Article Oh, Hyun Seok Kim, Sang Jun Odbadrakh, Khorgolkhuu Ryu, Wook Ha Yoon, Kook Noh Mu, Sai Körmann, Fritz Ikeda, Yuji Tasan, Cemal Cem Raabe, Dierk Egami, Takeshi Park, Eun Soo Engineering atomic-level complexity in high-entropy and complex concentrated alloys |
title | Engineering atomic-level complexity in high-entropy and complex concentrated alloys |
title_full | Engineering atomic-level complexity in high-entropy and complex concentrated alloys |
title_fullStr | Engineering atomic-level complexity in high-entropy and complex concentrated alloys |
title_full_unstemmed | Engineering atomic-level complexity in high-entropy and complex concentrated alloys |
title_short | Engineering atomic-level complexity in high-entropy and complex concentrated alloys |
title_sort | engineering atomic-level complexity in high-entropy and complex concentrated alloys |
topic | Article |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6504951/ https://www.ncbi.nlm.nih.gov/pubmed/31064988 http://dx.doi.org/10.1038/s41467-019-10012-7 |
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