Influence of grain boundary segregation on the deformation behavior of nanocrystalline Ni50Co50 solid solution alloys investigated by molecular dynamics simulations
Molecular dynamics simulations were carried out to investigate the tensile deformation behavior of Ni50Co50 solid solution nanocrystalline alloys with varying degrees of grain boundary segregation. A comprehensive analysis disclosed that the observed strengthening in the Ni-rich grain boundary model...
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| Format: | Article |
| Language: | English |
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Elsevier
2024-11-01
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| Series: | Journal of Materials Research and Technology |
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| Online Access: | http://www.sciencedirect.com/science/article/pii/S2238785424023068 |
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| author | Rui Liu Luyao Cheng Liang Chen Jinfu Li Lingti Kong |
| author_facet | Rui Liu Luyao Cheng Liang Chen Jinfu Li Lingti Kong |
| author_sort | Rui Liu |
| collection | DOAJ |
| description | Molecular dynamics simulations were carried out to investigate the tensile deformation behavior of Ni50Co50 solid solution nanocrystalline alloys with varying degrees of grain boundary segregation. A comprehensive analysis disclosed that the observed strengthening in the Ni-rich grain boundary model is primarily due to the formation of Lomer-Cottrell locks and dislocation networks which impede dislocation motion. Plastic deformation, on the other hand, is predominantly governed by enhanced grain boundary migration, grain rotation, and deformation twinning. In the Co-rich grain boundary model, the interactions among twins, dislocations, and grain boundaries, stemming from the formation of extensive stacking faults and twinning, dictate the plastic deformation and strengthening. Fluctuations in grain boundary composition promote stress concentration, thereby facilitating plastic deformation and dislocation accumulation within the grain, which in turn enhances strain hardening. The study reveals that the Ni50Co50 solid solution nanocrystalline alloys exhibit both high tensile strength and favorable plasticity for models with grain boundary segregation around ±10%. These insights provide valuable guidance for the development of Ni50Co50 nanocrystalline alloys with optimized strength and toughness. |
| format | Article |
| id | doaj-art-cc2ed561c0a144c7987806c0932b3f05 |
| institution | Kabale University |
| issn | 2238-7854 |
| language | English |
| publishDate | 2024-11-01 |
| publisher | Elsevier |
| record_format | Article |
| series | Journal of Materials Research and Technology |
| spelling | doaj-art-cc2ed561c0a144c7987806c0932b3f052024-12-26T08:54:24ZengElsevierJournal of Materials Research and Technology2238-78542024-11-013330293044Influence of grain boundary segregation on the deformation behavior of nanocrystalline Ni50Co50 solid solution alloys investigated by molecular dynamics simulationsRui Liu0Luyao Cheng1Liang Chen2Jinfu Li3Lingti Kong4School of Materials Science and Engineering, Shanghai Jiao Tong University, 800 Dongchuan Road, Minhang, Shanghai, 200240, ChinaSchool of Materials Science and Engineering, Shanghai Jiao Tong University, 800 Dongchuan Road, Minhang, Shanghai, 200240, ChinaSJTU Paris Elite Institute of Technology, Shanghai Jiao Tong University, 800 Dongchuan Road, Minhang, Shanghai, 200240, China; Corresponding author.School of Materials Science and Engineering, Shanghai Jiao Tong University, 800 Dongchuan Road, Minhang, Shanghai, 200240, ChinaSchool of Materials Science and Engineering, Shanghai Jiao Tong University, 800 Dongchuan Road, Minhang, Shanghai, 200240, China; Corresponding author.Molecular dynamics simulations were carried out to investigate the tensile deformation behavior of Ni50Co50 solid solution nanocrystalline alloys with varying degrees of grain boundary segregation. A comprehensive analysis disclosed that the observed strengthening in the Ni-rich grain boundary model is primarily due to the formation of Lomer-Cottrell locks and dislocation networks which impede dislocation motion. Plastic deformation, on the other hand, is predominantly governed by enhanced grain boundary migration, grain rotation, and deformation twinning. In the Co-rich grain boundary model, the interactions among twins, dislocations, and grain boundaries, stemming from the formation of extensive stacking faults and twinning, dictate the plastic deformation and strengthening. Fluctuations in grain boundary composition promote stress concentration, thereby facilitating plastic deformation and dislocation accumulation within the grain, which in turn enhances strain hardening. The study reveals that the Ni50Co50 solid solution nanocrystalline alloys exhibit both high tensile strength and favorable plasticity for models with grain boundary segregation around ±10%. These insights provide valuable guidance for the development of Ni50Co50 nanocrystalline alloys with optimized strength and toughness.http://www.sciencedirect.com/science/article/pii/S2238785424023068Nano-polycrystalline Ni50Co50Grain boundary segregationDeformation mechanismMolecular dynamics simulations |
| spellingShingle | Rui Liu Luyao Cheng Liang Chen Jinfu Li Lingti Kong Influence of grain boundary segregation on the deformation behavior of nanocrystalline Ni50Co50 solid solution alloys investigated by molecular dynamics simulations Journal of Materials Research and Technology Nano-polycrystalline Ni50Co50 Grain boundary segregation Deformation mechanism Molecular dynamics simulations |
| title | Influence of grain boundary segregation on the deformation behavior of nanocrystalline Ni50Co50 solid solution alloys investigated by molecular dynamics simulations |
| title_full | Influence of grain boundary segregation on the deformation behavior of nanocrystalline Ni50Co50 solid solution alloys investigated by molecular dynamics simulations |
| title_fullStr | Influence of grain boundary segregation on the deformation behavior of nanocrystalline Ni50Co50 solid solution alloys investigated by molecular dynamics simulations |
| title_full_unstemmed | Influence of grain boundary segregation on the deformation behavior of nanocrystalline Ni50Co50 solid solution alloys investigated by molecular dynamics simulations |
| title_short | Influence of grain boundary segregation on the deformation behavior of nanocrystalline Ni50Co50 solid solution alloys investigated by molecular dynamics simulations |
| title_sort | influence of grain boundary segregation on the deformation behavior of nanocrystalline ni50co50 solid solution alloys investigated by molecular dynamics simulations |
| topic | Nano-polycrystalline Ni50Co50 Grain boundary segregation Deformation mechanism Molecular dynamics simulations |
| url | http://www.sciencedirect.com/science/article/pii/S2238785424023068 |
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