Deformation mechanism of MWCNT/Ni composites under shear deformation: a molecular dynamics study
Multi-walled carbon nanotubes (MWCNTs) embedded in single-crystal and polycrystalline nickel were modeled by molecular dynamics simulations. Shear deformation was applied to the model perpendicular to the axial direction of the carbon nanotubes. In the case where single crystals are considered, the...
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| Format: | Article |
| Language: | English |
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IOP Publishing
2024-01-01
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| Series: | Materials Research Express |
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| Online Access: | https://doi.org/10.1088/2053-1591/ad8ffa |
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| _version_ | 1846163253754855424 |
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| author | Jiajia Zuo Yaxuan Hu Binhe Wu Rui Shu Baipo Shu |
| author_facet | Jiajia Zuo Yaxuan Hu Binhe Wu Rui Shu Baipo Shu |
| author_sort | Jiajia Zuo |
| collection | DOAJ |
| description | Multi-walled carbon nanotubes (MWCNTs) embedded in single-crystal and polycrystalline nickel were modeled by molecular dynamics simulations. Shear deformation was applied to the model perpendicular to the axial direction of the carbon nanotubes. In the case where single crystals are considered, the interfacial bonding between MWCNTs and nickel is weaker than the interaction force between nickel atoms. There is a difference in the deformation capacity between MWCNTs and the matrix, which leads to the concentration of stresses at the interface. The formation of defects near the interface and the debonding of the interface between MWCNT and the matrix cause material failure. In the polycrystalline model, MWCNT is considered to be located at grain boundaries or within the grain. The CNT/Ni interface and grain boundaries are both nucleation sites for dislocations and barriers to dislocation movement during deformation. The distribution of MWCNT in the matrix has an effect on the mechanical properties and deformation behavior of composites. |
| format | Article |
| id | doaj-art-2e0b4eeb691b49a383949f2f29898df1 |
| institution | Kabale University |
| issn | 2053-1591 |
| language | English |
| publishDate | 2024-01-01 |
| publisher | IOP Publishing |
| record_format | Article |
| series | Materials Research Express |
| spelling | doaj-art-2e0b4eeb691b49a383949f2f29898df12024-11-19T11:57:54ZengIOP PublishingMaterials Research Express2053-15912024-01-01111111651810.1088/2053-1591/ad8ffaDeformation mechanism of MWCNT/Ni composites under shear deformation: a molecular dynamics studyJiajia Zuo0https://orcid.org/0009-0007-4067-8704Yaxuan Hu1Binhe Wu2Rui Shu3Baipo Shu4https://orcid.org/0000-0003-1986-3271Faculty of Materials Science and Engineering, Kunming University of Science and Technology , Kunming 650093, People’s Republic of ChinaFaculty of Materials Science and Engineering, Kunming University of Science and Technology , Kunming 650093, People’s Republic of ChinaFaculty of Materials Science and Engineering, Kunming University of Science and Technology , Kunming 650093, People’s Republic of ChinaFaculty of Materials Science and Engineering, Kunming University of Science and Technology , Kunming 650093, People’s Republic of ChinaFaculty of Materials Science and Engineering, Kunming University of Science and Technology , Kunming 650093, People’s Republic of ChinaMulti-walled carbon nanotubes (MWCNTs) embedded in single-crystal and polycrystalline nickel were modeled by molecular dynamics simulations. Shear deformation was applied to the model perpendicular to the axial direction of the carbon nanotubes. In the case where single crystals are considered, the interfacial bonding between MWCNTs and nickel is weaker than the interaction force between nickel atoms. There is a difference in the deformation capacity between MWCNTs and the matrix, which leads to the concentration of stresses at the interface. The formation of defects near the interface and the debonding of the interface between MWCNT and the matrix cause material failure. In the polycrystalline model, MWCNT is considered to be located at grain boundaries or within the grain. The CNT/Ni interface and grain boundaries are both nucleation sites for dislocations and barriers to dislocation movement during deformation. The distribution of MWCNT in the matrix has an effect on the mechanical properties and deformation behavior of composites.https://doi.org/10.1088/2053-1591/ad8ffacarbon nanotubenickel matrix compositesmolecular dynamicsshearinterface |
| spellingShingle | Jiajia Zuo Yaxuan Hu Binhe Wu Rui Shu Baipo Shu Deformation mechanism of MWCNT/Ni composites under shear deformation: a molecular dynamics study Materials Research Express carbon nanotube nickel matrix composites molecular dynamics shear interface |
| title | Deformation mechanism of MWCNT/Ni composites under shear deformation: a molecular dynamics study |
| title_full | Deformation mechanism of MWCNT/Ni composites under shear deformation: a molecular dynamics study |
| title_fullStr | Deformation mechanism of MWCNT/Ni composites under shear deformation: a molecular dynamics study |
| title_full_unstemmed | Deformation mechanism of MWCNT/Ni composites under shear deformation: a molecular dynamics study |
| title_short | Deformation mechanism of MWCNT/Ni composites under shear deformation: a molecular dynamics study |
| title_sort | deformation mechanism of mwcnt ni composites under shear deformation a molecular dynamics study |
| topic | carbon nanotube nickel matrix composites molecular dynamics shear interface |
| url | https://doi.org/10.1088/2053-1591/ad8ffa |
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