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Forming mechanism of equilibrium and non-equilibrium metallurgical phases in dissimilar aluminum/steel (Al–Fe) joints
Forming metallurgical phases has a critical impact on the performance of dissimilar materials joints. Here, we shed light on the forming mechanism of equilibrium and non-equilibrium intermetallic compounds (IMCs) in dissimilar aluminum/steel joints with respect to processing history (e.g., the press...
Autores principales: | , , , , , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
Nature Publishing Group UK
2021
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8688452/ https://www.ncbi.nlm.nih.gov/pubmed/34930945 http://dx.doi.org/10.1038/s41598-021-03578-0 |
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author | Shang, Shun-Li Sun, Hui Pan, Bo Wang, Yi Krajewski, Adam M. Banu, Mihaela Li, Jingjing Liu, Zi-Kui |
author_facet | Shang, Shun-Li Sun, Hui Pan, Bo Wang, Yi Krajewski, Adam M. Banu, Mihaela Li, Jingjing Liu, Zi-Kui |
author_sort | Shang, Shun-Li |
collection | PubMed |
description | Forming metallurgical phases has a critical impact on the performance of dissimilar materials joints. Here, we shed light on the forming mechanism of equilibrium and non-equilibrium intermetallic compounds (IMCs) in dissimilar aluminum/steel joints with respect to processing history (e.g., the pressure and temperature profiles) and chemical composition, where the knowledge of free energy and atomic diffusion in the Al–Fe system was taken from first-principles phonon calculations and data available in the literature. We found that the metastable and ductile (judged by the presently predicted elastic constants) Al(6)Fe is a pressure (P) favored IMC observed in processes involving high pressures. The MoSi(2)-type Al(2)Fe is brittle and a strong P-favored IMC observed at high pressures. The stable, brittle η-Al(5)Fe(2) is the most observed IMC (followed by θ-Al(13)Fe(4)) in almost all processes, such as fusion/solid-state welding and additive manufacturing (AM), since η-Al(5)Fe(2) is temperature-favored, possessing high thermodynamic driving force of formation and the fastest atomic diffusivity among all Al–Fe IMCs. Notably, the ductile AlFe(3), the less ductile AlFe, and most of the other IMCs can be formed during AM, making AM a superior process to achieve desired IMCs in dissimilar materials. In addition, the unknown configurations of Al(2)Fe and Al(5)Fe(2) were also examined by machine learning based datamining together with first-principles verifications and structure predictions. All the IMCs that are not P-favored can be identified using the conventional equilibrium phase diagram and the Scheil-Gulliver non-equilibrium simulations. |
format | Online Article Text |
id | pubmed-8688452 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2021 |
publisher | Nature Publishing Group UK |
record_format | MEDLINE/PubMed |
spelling | pubmed-86884522021-12-22 Forming mechanism of equilibrium and non-equilibrium metallurgical phases in dissimilar aluminum/steel (Al–Fe) joints Shang, Shun-Li Sun, Hui Pan, Bo Wang, Yi Krajewski, Adam M. Banu, Mihaela Li, Jingjing Liu, Zi-Kui Sci Rep Article Forming metallurgical phases has a critical impact on the performance of dissimilar materials joints. Here, we shed light on the forming mechanism of equilibrium and non-equilibrium intermetallic compounds (IMCs) in dissimilar aluminum/steel joints with respect to processing history (e.g., the pressure and temperature profiles) and chemical composition, where the knowledge of free energy and atomic diffusion in the Al–Fe system was taken from first-principles phonon calculations and data available in the literature. We found that the metastable and ductile (judged by the presently predicted elastic constants) Al(6)Fe is a pressure (P) favored IMC observed in processes involving high pressures. The MoSi(2)-type Al(2)Fe is brittle and a strong P-favored IMC observed at high pressures. The stable, brittle η-Al(5)Fe(2) is the most observed IMC (followed by θ-Al(13)Fe(4)) in almost all processes, such as fusion/solid-state welding and additive manufacturing (AM), since η-Al(5)Fe(2) is temperature-favored, possessing high thermodynamic driving force of formation and the fastest atomic diffusivity among all Al–Fe IMCs. Notably, the ductile AlFe(3), the less ductile AlFe, and most of the other IMCs can be formed during AM, making AM a superior process to achieve desired IMCs in dissimilar materials. In addition, the unknown configurations of Al(2)Fe and Al(5)Fe(2) were also examined by machine learning based datamining together with first-principles verifications and structure predictions. All the IMCs that are not P-favored can be identified using the conventional equilibrium phase diagram and the Scheil-Gulliver non-equilibrium simulations. Nature Publishing Group UK 2021-12-20 /pmc/articles/PMC8688452/ /pubmed/34930945 http://dx.doi.org/10.1038/s41598-021-03578-0 Text en © The Author(s) 2021 https://creativecommons.org/licenses/by/4.0/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 licence, and indicate if changes were made. The images or other third party material in this article are included in the article's Creative Commons licence, unless indicated otherwise in a credit line to the material. If material is not included in the article's Creative Commons licence 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 licence, visit http://creativecommons.org/licenses/by/4.0/ (https://creativecommons.org/licenses/by/4.0/) . |
spellingShingle | Article Shang, Shun-Li Sun, Hui Pan, Bo Wang, Yi Krajewski, Adam M. Banu, Mihaela Li, Jingjing Liu, Zi-Kui Forming mechanism of equilibrium and non-equilibrium metallurgical phases in dissimilar aluminum/steel (Al–Fe) joints |
title | Forming mechanism of equilibrium and non-equilibrium metallurgical phases in dissimilar aluminum/steel (Al–Fe) joints |
title_full | Forming mechanism of equilibrium and non-equilibrium metallurgical phases in dissimilar aluminum/steel (Al–Fe) joints |
title_fullStr | Forming mechanism of equilibrium and non-equilibrium metallurgical phases in dissimilar aluminum/steel (Al–Fe) joints |
title_full_unstemmed | Forming mechanism of equilibrium and non-equilibrium metallurgical phases in dissimilar aluminum/steel (Al–Fe) joints |
title_short | Forming mechanism of equilibrium and non-equilibrium metallurgical phases in dissimilar aluminum/steel (Al–Fe) joints |
title_sort | forming mechanism of equilibrium and non-equilibrium metallurgical phases in dissimilar aluminum/steel (al–fe) joints |
topic | Article |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8688452/ https://www.ncbi.nlm.nih.gov/pubmed/34930945 http://dx.doi.org/10.1038/s41598-021-03578-0 |
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