General Molecular Dynamics Approach to Understand the Mechanical Anisotropy of Monocrystalline Silicon under the Nanoscale Effects of Point Defect
Mechanical anisotropy and point defects would greatly affect the product quality while producing silicon wafers via diamond-wire cutting. For three major orientations concerned in wafer production, their mechanical performances under the nanoscale effects of a point defect were systematically invest...
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MDPI AG
2021-07-01
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| Series: | Nanomaterials |
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| Online Access: | https://www.mdpi.com/2079-4991/11/8/1965 |
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| author | Wei Wan Changxin Tang Jianjie Zhang Lang Zhou |
| author_facet | Wei Wan Changxin Tang Jianjie Zhang Lang Zhou |
| author_sort | Wei Wan |
| collection | DOAJ |
| description | Mechanical anisotropy and point defects would greatly affect the product quality while producing silicon wafers via diamond-wire cutting. For three major orientations concerned in wafer production, their mechanical performances under the nanoscale effects of a point defect were systematically investigated through molecular dynamics methods. The results indicated anisotropic mechanical performance with fracture phenomena in the uniaxial deformation process of monocrystalline silicon. Exponential reduction caused by the point defect has been demonstrated for some properties like yield strength and elastic strain energy release. Dislocation analysis suggested that the slip of dislocations appeared and created hexagonal diamond structures with stacking faults in the [100] orientation. Meanwhile, no dislocation was observed in [110] and [111] orientations. Visualization of atomic stress proved that the extreme stress regions of the simulation models exhibited different geometric and numerical characteristics due to the mechanical anisotropy. Moreover, the regional evolution of stress concentration and crystal fracture were interrelated and mutually promoted. This article contributes to the research towards the mechanical and fracture anisotropy of monocrystalline silicon. |
| first_indexed | 2024-03-10T08:31:58Z |
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| id | doaj.art-2fbfb005ff0c489dae6c7e3d7debe30f |
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| issn | 2079-4991 |
| language | English |
| last_indexed | 2024-03-10T08:31:58Z |
| publishDate | 2021-07-01 |
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| series | Nanomaterials |
| spelling | doaj.art-2fbfb005ff0c489dae6c7e3d7debe30f2023-11-22T08:58:26ZengMDPI AGNanomaterials2079-49912021-07-01118196510.3390/nano11081965General Molecular Dynamics Approach to Understand the Mechanical Anisotropy of Monocrystalline Silicon under the Nanoscale Effects of Point DefectWei Wan0Changxin Tang1Jianjie Zhang2Lang Zhou3Institute of Photovoltaics, Nanchang University, Nanchang 330031, ChinaInstitute of Photovoltaics, Nanchang University, Nanchang 330031, ChinaInstitute of Photovoltaics, Nanchang University, Nanchang 330031, ChinaInstitute of Photovoltaics, Nanchang University, Nanchang 330031, ChinaMechanical anisotropy and point defects would greatly affect the product quality while producing silicon wafers via diamond-wire cutting. For three major orientations concerned in wafer production, their mechanical performances under the nanoscale effects of a point defect were systematically investigated through molecular dynamics methods. The results indicated anisotropic mechanical performance with fracture phenomena in the uniaxial deformation process of monocrystalline silicon. Exponential reduction caused by the point defect has been demonstrated for some properties like yield strength and elastic strain energy release. Dislocation analysis suggested that the slip of dislocations appeared and created hexagonal diamond structures with stacking faults in the [100] orientation. Meanwhile, no dislocation was observed in [110] and [111] orientations. Visualization of atomic stress proved that the extreme stress regions of the simulation models exhibited different geometric and numerical characteristics due to the mechanical anisotropy. Moreover, the regional evolution of stress concentration and crystal fracture were interrelated and mutually promoted. This article contributes to the research towards the mechanical and fracture anisotropy of monocrystalline silicon.https://www.mdpi.com/2079-4991/11/8/1965molecular dynamicsmonocrystalline siliconmechanical anisotropypoint defect |
| spellingShingle | Wei Wan Changxin Tang Jianjie Zhang Lang Zhou General Molecular Dynamics Approach to Understand the Mechanical Anisotropy of Monocrystalline Silicon under the Nanoscale Effects of Point Defect Nanomaterials molecular dynamics monocrystalline silicon mechanical anisotropy point defect |
| title | General Molecular Dynamics Approach to Understand the Mechanical Anisotropy of Monocrystalline Silicon under the Nanoscale Effects of Point Defect |
| title_full | General Molecular Dynamics Approach to Understand the Mechanical Anisotropy of Monocrystalline Silicon under the Nanoscale Effects of Point Defect |
| title_fullStr | General Molecular Dynamics Approach to Understand the Mechanical Anisotropy of Monocrystalline Silicon under the Nanoscale Effects of Point Defect |
| title_full_unstemmed | General Molecular Dynamics Approach to Understand the Mechanical Anisotropy of Monocrystalline Silicon under the Nanoscale Effects of Point Defect |
| title_short | General Molecular Dynamics Approach to Understand the Mechanical Anisotropy of Monocrystalline Silicon under the Nanoscale Effects of Point Defect |
| title_sort | general molecular dynamics approach to understand the mechanical anisotropy of monocrystalline silicon under the nanoscale effects of point defect |
| topic | molecular dynamics monocrystalline silicon mechanical anisotropy point defect |
| url | https://www.mdpi.com/2079-4991/11/8/1965 |
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