Mechanical Load-Induced Atomic-Scale Deformation Evolution and Mechanism of SiC Polytypes Using Molecular Dynamics Simulation
Silicon carbide (SiC) is a promising semiconductor material for making high-performance power electronics with higher withstand voltage and lower loss. The development of cost-effective machining technology for fabricating SiC wafers requires a complete understanding of the deformation and removal m...
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| Format: | Article |
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MDPI AG
2022-07-01
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| Series: | Nanomaterials |
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| Online Access: | https://www.mdpi.com/2079-4991/12/14/2489 |
| _version_ | 1827627507641221120 |
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| author | Haoxiang Wang Shang Gao Renke Kang Xiaoguang Guo Honggang Li |
| author_facet | Haoxiang Wang Shang Gao Renke Kang Xiaoguang Guo Honggang Li |
| author_sort | Haoxiang Wang |
| collection | DOAJ |
| description | Silicon carbide (SiC) is a promising semiconductor material for making high-performance power electronics with higher withstand voltage and lower loss. The development of cost-effective machining technology for fabricating SiC wafers requires a complete understanding of the deformation and removal mechanism. In this study, molecular dynamics (MD) simulations were carried out to investigate the origins of the differences in elastic–plastic deformation characteristics of the SiC polytypes, including 3C-SiC, 4H-SiC and 6H-SiC, during nanoindentation. The atomic structures, pair correlation function and dislocation distribution during nanoindentation were extracted and analyzed. The main factors that cause elastic–plastic deformation have been revealed. The simulation results show that the deformation mechanisms of SiC polytypes are all dominated by amorphous phase transformation and dislocation behaviors. Most of the amorphous atoms recovered after completed unload. Dislocation analysis shows that the dislocations of 3C-SiC are mainly perfect dislocations during loading, while the perfect dislocations in 4H-SiC and 6H-SiC are relatively few. In addition, 4H-SiC also formed two types of stacking faults. |
| first_indexed | 2024-03-09T13:15:06Z |
| format | Article |
| id | doaj.art-00e13c411870483f8fba1daaab73900b |
| institution | Directory Open Access Journal |
| issn | 2079-4991 |
| language | English |
| last_indexed | 2024-03-09T13:15:06Z |
| publishDate | 2022-07-01 |
| publisher | MDPI AG |
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| series | Nanomaterials |
| spelling | doaj.art-00e13c411870483f8fba1daaab73900b2023-11-30T21:36:30ZengMDPI AGNanomaterials2079-49912022-07-011214248910.3390/nano12142489Mechanical Load-Induced Atomic-Scale Deformation Evolution and Mechanism of SiC Polytypes Using Molecular Dynamics SimulationHaoxiang Wang0Shang Gao1Renke Kang2Xiaoguang Guo3Honggang Li4Key Laboratory for Precision and Non-Traditional Machining Technology of Ministry of Education, Dalian University of Technology, Dalian 116024, ChinaKey Laboratory for Precision and Non-Traditional Machining Technology of Ministry of Education, Dalian University of Technology, Dalian 116024, ChinaKey Laboratory for Precision and Non-Traditional Machining Technology of Ministry of Education, Dalian University of Technology, Dalian 116024, ChinaKey Laboratory for Precision and Non-Traditional Machining Technology of Ministry of Education, Dalian University of Technology, Dalian 116024, ChinaKey Laboratory for Precision and Non-Traditional Machining Technology of Ministry of Education, Dalian University of Technology, Dalian 116024, ChinaSilicon carbide (SiC) is a promising semiconductor material for making high-performance power electronics with higher withstand voltage and lower loss. The development of cost-effective machining technology for fabricating SiC wafers requires a complete understanding of the deformation and removal mechanism. In this study, molecular dynamics (MD) simulations were carried out to investigate the origins of the differences in elastic–plastic deformation characteristics of the SiC polytypes, including 3C-SiC, 4H-SiC and 6H-SiC, during nanoindentation. The atomic structures, pair correlation function and dislocation distribution during nanoindentation were extracted and analyzed. The main factors that cause elastic–plastic deformation have been revealed. The simulation results show that the deformation mechanisms of SiC polytypes are all dominated by amorphous phase transformation and dislocation behaviors. Most of the amorphous atoms recovered after completed unload. Dislocation analysis shows that the dislocations of 3C-SiC are mainly perfect dislocations during loading, while the perfect dislocations in 4H-SiC and 6H-SiC are relatively few. In addition, 4H-SiC also formed two types of stacking faults.https://www.mdpi.com/2079-4991/12/14/2489silicon carbidemolecular dynamics simulationsdeformation mechanismamorphous phase transformationdislocationstacking faults |
| spellingShingle | Haoxiang Wang Shang Gao Renke Kang Xiaoguang Guo Honggang Li Mechanical Load-Induced Atomic-Scale Deformation Evolution and Mechanism of SiC Polytypes Using Molecular Dynamics Simulation Nanomaterials silicon carbide molecular dynamics simulations deformation mechanism amorphous phase transformation dislocation stacking faults |
| title | Mechanical Load-Induced Atomic-Scale Deformation Evolution and Mechanism of SiC Polytypes Using Molecular Dynamics Simulation |
| title_full | Mechanical Load-Induced Atomic-Scale Deformation Evolution and Mechanism of SiC Polytypes Using Molecular Dynamics Simulation |
| title_fullStr | Mechanical Load-Induced Atomic-Scale Deformation Evolution and Mechanism of SiC Polytypes Using Molecular Dynamics Simulation |
| title_full_unstemmed | Mechanical Load-Induced Atomic-Scale Deformation Evolution and Mechanism of SiC Polytypes Using Molecular Dynamics Simulation |
| title_short | Mechanical Load-Induced Atomic-Scale Deformation Evolution and Mechanism of SiC Polytypes Using Molecular Dynamics Simulation |
| title_sort | mechanical load induced atomic scale deformation evolution and mechanism of sic polytypes using molecular dynamics simulation |
| topic | silicon carbide molecular dynamics simulations deformation mechanism amorphous phase transformation dislocation stacking faults |
| url | https://www.mdpi.com/2079-4991/12/14/2489 |
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