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Molecular Dynamics and Experimental Investigation on the Interfacial Binding Mechanism in the Fe/Cu(1−x)-Ni(x) Bimetallic Interface
To systematically investigate the diffusion behavior of Fe/Cu bimetallic materials and the influence of the Ni element on the diffusion and mechanical properties of the Fe/Cu bimetallic interface, the diffusion distance, diffusion coefficient, and strain–stress process based on molecular dynamics (M...
Autores principales: | , , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
MDPI
2022
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9501486/ https://www.ncbi.nlm.nih.gov/pubmed/36145033 http://dx.doi.org/10.3390/nano12183245 |
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author | Zhang, Guowei Wang, Mingjie Yu, Huan Xu, Hong Wan, An |
author_facet | Zhang, Guowei Wang, Mingjie Yu, Huan Xu, Hong Wan, An |
author_sort | Zhang, Guowei |
collection | PubMed |
description | To systematically investigate the diffusion behavior of Fe/Cu bimetallic materials and the influence of the Ni element on the diffusion and mechanical properties of the Fe/Cu bimetallic interface, the diffusion distance, diffusion coefficient, and strain–stress process based on molecular dynamics (MD) calculations and experimental testing were analyzed. All simulation results indicated that the liquid Cu matrix had a higher diffusion coefficient but hardly diffused into the Fe matrix, and the solid Fe matrix had a smaller diffusion coefficient but diffused deep into the Cu matrix at the same temperature. Compared with the initial state, the addition of nickel atoms to the Cu matrix favored the improvement of the diffusion coefficient and the diffusion distance of Fe/Cu bimetallic materials. Moreover, we found that the diffusion distance and the yield strength simultaneously increased and then decreased with the increase in Ni atoms, which is in agreement with the experimental test results. These improvements in the diffusion and mechanical properties were attributed to the enrichment of Ni atoms at the interface, but excessive Ni content resulted in deteriorated properties. Finally, our research described the enhancement mechanism of the addition of nickel atoms to the Fe/Cu bimetallic diffusion system. An analysis of the contributions of the diffusion distance, the diffusion coefficient, and the yield strength revealed that the diffusion properties of nickel atoms play an important role in Fe/Cu bimetallic materials. |
format | Online Article Text |
id | pubmed-9501486 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2022 |
publisher | MDPI |
record_format | MEDLINE/PubMed |
spelling | pubmed-95014862022-09-24 Molecular Dynamics and Experimental Investigation on the Interfacial Binding Mechanism in the Fe/Cu(1−x)-Ni(x) Bimetallic Interface Zhang, Guowei Wang, Mingjie Yu, Huan Xu, Hong Wan, An Nanomaterials (Basel) Article To systematically investigate the diffusion behavior of Fe/Cu bimetallic materials and the influence of the Ni element on the diffusion and mechanical properties of the Fe/Cu bimetallic interface, the diffusion distance, diffusion coefficient, and strain–stress process based on molecular dynamics (MD) calculations and experimental testing were analyzed. All simulation results indicated that the liquid Cu matrix had a higher diffusion coefficient but hardly diffused into the Fe matrix, and the solid Fe matrix had a smaller diffusion coefficient but diffused deep into the Cu matrix at the same temperature. Compared with the initial state, the addition of nickel atoms to the Cu matrix favored the improvement of the diffusion coefficient and the diffusion distance of Fe/Cu bimetallic materials. Moreover, we found that the diffusion distance and the yield strength simultaneously increased and then decreased with the increase in Ni atoms, which is in agreement with the experimental test results. These improvements in the diffusion and mechanical properties were attributed to the enrichment of Ni atoms at the interface, but excessive Ni content resulted in deteriorated properties. Finally, our research described the enhancement mechanism of the addition of nickel atoms to the Fe/Cu bimetallic diffusion system. An analysis of the contributions of the diffusion distance, the diffusion coefficient, and the yield strength revealed that the diffusion properties of nickel atoms play an important role in Fe/Cu bimetallic materials. MDPI 2022-09-19 /pmc/articles/PMC9501486/ /pubmed/36145033 http://dx.doi.org/10.3390/nano12183245 Text en © 2022 by the authors. https://creativecommons.org/licenses/by/4.0/Licensee MDPI, Basel, Switzerland. This article is an open access article distributed under the terms and conditions of the Creative Commons Attribution (CC BY) license (https://creativecommons.org/licenses/by/4.0/). |
spellingShingle | Article Zhang, Guowei Wang, Mingjie Yu, Huan Xu, Hong Wan, An Molecular Dynamics and Experimental Investigation on the Interfacial Binding Mechanism in the Fe/Cu(1−x)-Ni(x) Bimetallic Interface |
title | Molecular Dynamics and Experimental Investigation on the Interfacial Binding Mechanism in the Fe/Cu(1−x)-Ni(x) Bimetallic Interface |
title_full | Molecular Dynamics and Experimental Investigation on the Interfacial Binding Mechanism in the Fe/Cu(1−x)-Ni(x) Bimetallic Interface |
title_fullStr | Molecular Dynamics and Experimental Investigation on the Interfacial Binding Mechanism in the Fe/Cu(1−x)-Ni(x) Bimetallic Interface |
title_full_unstemmed | Molecular Dynamics and Experimental Investigation on the Interfacial Binding Mechanism in the Fe/Cu(1−x)-Ni(x) Bimetallic Interface |
title_short | Molecular Dynamics and Experimental Investigation on the Interfacial Binding Mechanism in the Fe/Cu(1−x)-Ni(x) Bimetallic Interface |
title_sort | molecular dynamics and experimental investigation on the interfacial binding mechanism in the fe/cu(1−x)-ni(x) bimetallic interface |
topic | Article |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9501486/ https://www.ncbi.nlm.nih.gov/pubmed/36145033 http://dx.doi.org/10.3390/nano12183245 |
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