Molecular dynamics simulation study on the influence of graphene monolayers and laminates on the mechanical properties of graphene aluminum based composites
This study investigated the compressive properties of Gra/Al nanolaminated composites using molecular dynamics (MD) simulations. The results demonstrate that the thickness of graphene layers significantly influences the strength and Young's modulus of the Gra/Al composite, effectively impeding...
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| Format: | Article |
| Language: | English |
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Elsevier
2025-05-01
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| Series: | Journal of Materials Research and Technology |
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| Online Access: | http://www.sciencedirect.com/science/article/pii/S2238785425009123 |
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| author | Shanming Fan Qing Yu Mingjun Peng Hengyong Bu Xiaolong Zhou Jun Li Yonghua Duan Mengnie Li |
| author_facet | Shanming Fan Qing Yu Mingjun Peng Hengyong Bu Xiaolong Zhou Jun Li Yonghua Duan Mengnie Li |
| author_sort | Shanming Fan |
| collection | DOAJ |
| description | This study investigated the compressive properties of Gra/Al nanolaminated composites using molecular dynamics (MD) simulations. The results demonstrate that the thickness of graphene layers significantly influences the strength and Young's modulus of the Gra/Al composite, effectively impeding dislocation propagation. A reduction in aluminum layer thickness correlates with enhanced composite performance. Compared to pure aluminum, the graphene layers improve the composite's Young's modulus, strength, and ductility. Additionally, graphene layers intensify dislocation interactions, increasing the density of sessile dislocations (e.g., Stair-rod dislocations and Hirth dislocations), which hinder dislocation glide and thereby strengthen the composite. Temperature simulations reveal that the Gra/Al composite exhibits suppressed plastic deformation at low temperatures. However, as temperature rises, the proliferation of defects within the composite leads to a decline in both strength and modulus. |
| format | Article |
| id | doaj-art-ef93231dea004b6f84b7bb4e3740631f |
| institution | DOAJ |
| issn | 2238-7854 |
| language | English |
| publishDate | 2025-05-01 |
| publisher | Elsevier |
| record_format | Article |
| series | Journal of Materials Research and Technology |
| spelling | doaj-art-ef93231dea004b6f84b7bb4e3740631f2025-08-20T03:14:45ZengElsevierJournal of Materials Research and Technology2238-78542025-05-01365018503010.1016/j.jmrt.2025.04.090Molecular dynamics simulation study on the influence of graphene monolayers and laminates on the mechanical properties of graphene aluminum based compositesShanming Fan0Qing Yu1Mingjun Peng2Hengyong Bu3Xiaolong Zhou4Jun Li5Yonghua Duan6Mengnie Li7Faculty of Material Science and Engineering, Yunnan Key Laboratory of Integrated Computational Materials Engineering for Advanced Light Alloys, Kunming University of Science and Technology, Kunming, 650093, ChinaFaculty of Material Science and Engineering, Yunnan Key Laboratory of Integrated Computational Materials Engineering for Advanced Light Alloys, Kunming University of Science and Technology, Kunming, 650093, China; Yunnan Aluminum Hai Xin Aluminum Co., Ltd., Kunming, 650031, Yunnan, ChinaFaculty of Material Science and Engineering, Yunnan Key Laboratory of Integrated Computational Materials Engineering for Advanced Light Alloys, Kunming University of Science and Technology, Kunming, 650093, China; Corresponding author.Faculty of Material Science and Engineering, Yunnan Key Laboratory of Integrated Computational Materials Engineering for Advanced Light Alloys, Kunming University of Science and Technology, Kunming, 650093, ChinaFaculty of Material Science and Engineering, Yunnan Key Laboratory of Integrated Computational Materials Engineering for Advanced Light Alloys, Kunming University of Science and Technology, Kunming, 650093, ChinaFaculty of Material Science and Engineering, Yunnan Key Laboratory of Integrated Computational Materials Engineering for Advanced Light Alloys, Kunming University of Science and Technology, Kunming, 650093, China; Corresponding author.Faculty of Material Science and Engineering, Yunnan Key Laboratory of Integrated Computational Materials Engineering for Advanced Light Alloys, Kunming University of Science and Technology, Kunming, 650093, China; Corresponding author.Faculty of Material Science and Engineering, Yunnan Key Laboratory of Integrated Computational Materials Engineering for Advanced Light Alloys, Kunming University of Science and Technology, Kunming, 650093, China; Corresponding author.This study investigated the compressive properties of Gra/Al nanolaminated composites using molecular dynamics (MD) simulations. The results demonstrate that the thickness of graphene layers significantly influences the strength and Young's modulus of the Gra/Al composite, effectively impeding dislocation propagation. A reduction in aluminum layer thickness correlates with enhanced composite performance. Compared to pure aluminum, the graphene layers improve the composite's Young's modulus, strength, and ductility. Additionally, graphene layers intensify dislocation interactions, increasing the density of sessile dislocations (e.g., Stair-rod dislocations and Hirth dislocations), which hinder dislocation glide and thereby strengthen the composite. Temperature simulations reveal that the Gra/Al composite exhibits suppressed plastic deformation at low temperatures. However, as temperature rises, the proliferation of defects within the composite leads to a decline in both strength and modulus.http://www.sciencedirect.com/science/article/pii/S2238785425009123Molecular dynamics simulationGraphene/aluminum compositeCompression performanceDislocationsStrength toughness |
| spellingShingle | Shanming Fan Qing Yu Mingjun Peng Hengyong Bu Xiaolong Zhou Jun Li Yonghua Duan Mengnie Li Molecular dynamics simulation study on the influence of graphene monolayers and laminates on the mechanical properties of graphene aluminum based composites Journal of Materials Research and Technology Molecular dynamics simulation Graphene/aluminum composite Compression performance Dislocations Strength toughness |
| title | Molecular dynamics simulation study on the influence of graphene monolayers and laminates on the mechanical properties of graphene aluminum based composites |
| title_full | Molecular dynamics simulation study on the influence of graphene monolayers and laminates on the mechanical properties of graphene aluminum based composites |
| title_fullStr | Molecular dynamics simulation study on the influence of graphene monolayers and laminates on the mechanical properties of graphene aluminum based composites |
| title_full_unstemmed | Molecular dynamics simulation study on the influence of graphene monolayers and laminates on the mechanical properties of graphene aluminum based composites |
| title_short | Molecular dynamics simulation study on the influence of graphene monolayers and laminates on the mechanical properties of graphene aluminum based composites |
| title_sort | molecular dynamics simulation study on the influence of graphene monolayers and laminates on the mechanical properties of graphene aluminum based composites |
| topic | Molecular dynamics simulation Graphene/aluminum composite Compression performance Dislocations Strength toughness |
| url | http://www.sciencedirect.com/science/article/pii/S2238785425009123 |
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