Molecular Dynamics and Experimental Investigation on the Interfacial Binding Mechanism in the Fe/Cu<sub>1−x</sub>-Ni<sub>x</sub> 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...
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MDPI AG
2022-09-01
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| Series: | Nanomaterials |
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| Online Access: | https://www.mdpi.com/2079-4991/12/18/3245 |
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| author | Guowei Zhang Mingjie Wang Huan Yu Hong Xu An Wan |
| author_facet | Guowei Zhang Mingjie Wang Huan Yu Hong Xu An Wan |
| author_sort | Guowei Zhang |
| collection | DOAJ |
| 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. |
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| institution | Directory Open Access Journal |
| issn | 2079-4991 |
| language | English |
| last_indexed | 2024-03-09T22:57:40Z |
| publishDate | 2022-09-01 |
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| spelling | doaj.art-f586d5df552b4c089458e16d0bd3d72a2023-11-23T18:08:03ZengMDPI AGNanomaterials2079-49912022-09-011218324510.3390/nano12183245Molecular Dynamics and Experimental Investigation on the Interfacial Binding Mechanism in the Fe/Cu<sub>1−x</sub>-Ni<sub>x</sub> Bimetallic InterfaceGuowei Zhang0Mingjie Wang1Huan Yu2Hong Xu3An Wan4School of Materials Science and Engineering, North University of China, Taiyuan 030051, ChinaSchool of Materials Science and Engineering, North University of China, Taiyuan 030051, ChinaSchool of Materials Science and Engineering, North University of China, Taiyuan 030051, ChinaSchool of Materials Science and Engineering, North University of China, Taiyuan 030051, ChinaSchool of Materials Science and Engineering, North University of China, Taiyuan 030051, ChinaTo 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.https://www.mdpi.com/2079-4991/12/18/3245molecular dynamicsvalidation experimentNi contentFe/Cu bimetallic interfacediffusion behaviormechanical properties |
| spellingShingle | Guowei Zhang Mingjie Wang Huan Yu Hong Xu An Wan Molecular Dynamics and Experimental Investigation on the Interfacial Binding Mechanism in the Fe/Cu<sub>1−x</sub>-Ni<sub>x</sub> Bimetallic Interface Nanomaterials molecular dynamics validation experiment Ni content Fe/Cu bimetallic interface diffusion behavior mechanical properties |
| title | Molecular Dynamics and Experimental Investigation on the Interfacial Binding Mechanism in the Fe/Cu<sub>1−x</sub>-Ni<sub>x</sub> Bimetallic Interface |
| title_full | Molecular Dynamics and Experimental Investigation on the Interfacial Binding Mechanism in the Fe/Cu<sub>1−x</sub>-Ni<sub>x</sub> Bimetallic Interface |
| title_fullStr | Molecular Dynamics and Experimental Investigation on the Interfacial Binding Mechanism in the Fe/Cu<sub>1−x</sub>-Ni<sub>x</sub> Bimetallic Interface |
| title_full_unstemmed | Molecular Dynamics and Experimental Investigation on the Interfacial Binding Mechanism in the Fe/Cu<sub>1−x</sub>-Ni<sub>x</sub> Bimetallic Interface |
| title_short | Molecular Dynamics and Experimental Investigation on the Interfacial Binding Mechanism in the Fe/Cu<sub>1−x</sub>-Ni<sub>x</sub> Bimetallic Interface |
| title_sort | molecular dynamics and experimental investigation on the interfacial binding mechanism in the fe cu sub 1 x sub ni sub x sub bimetallic interface |
| topic | molecular dynamics validation experiment Ni content Fe/Cu bimetallic interface diffusion behavior mechanical properties |
| url | https://www.mdpi.com/2079-4991/12/18/3245 |
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