Tensile deformation mechanism of amorphous silicon nitride: Insights from molecular dynamics simulations
The molecular dynamics simulations have been carried out to investigate the mechanical behaviors of amorphous silicon nitride under the uniaxial tensile deformation. The amorphous silicon nitride was obtained by the cooling process. The network structure of the sample consists of SiNx (x = 3, 4 and...
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Elsevier
2022
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| Truy cập trực tuyến: | https://www.sciencedirect.com/science/article/abs/pii/S0022309321007420?via%3Dihub https://dlib.phenikaa-uni.edu.vn/handle/PNK/5725 https://doi.org/10.1016/j.jnoncrysol.2021.121381 |
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oai:localhost:PNK-57252022-08-17T05:54:50Z Tensile deformation mechanism of amorphous silicon nitride: Insights from molecular dynamics simulations Vinh, V.Le Dinh, Thi Hinh Molecular dynamics A-Si3N4 The molecular dynamics simulations have been carried out to investigate the mechanical behaviors of amorphous silicon nitride under the uniaxial tensile deformation. The amorphous silicon nitride was obtained by the cooling process. The network structure of the sample consists of SiNx (x = 3, 4 and 5) units and NSiy (y = 2, 3 and 4) linkages. The stress-strain curve of the sample exhibits the elastic and plastic deformation. The Si-N bond lengths are stretched out in the elastic region and the plastic region I. They are shrunk to the initial state in the plastic region II due to the appearance of the large clusters which contain the overlapping big simplexes with the RS ≥ 2.4 Å. These big simplexes tend to appear at the shear transformation zones in the elastic region. These shear transformation zones tend to form the shear band inclined 45° with the tensile direction. The big simplexes grow and coalesce along the shear band in the plastic region I. In the plastic region II, the clusters of big simplexes grow in the shear band, causing the crack propagation across the sample 2022-05-05T07:26:12Z 2022-05-05T07:26:12Z 2022 Bài trích https://www.sciencedirect.com/science/article/abs/pii/S0022309321007420?via%3Dihub https://dlib.phenikaa-uni.edu.vn/handle/PNK/5725 https://doi.org/10.1016/j.jnoncrysol.2021.121381 en Elsevier |
| institution |
Digital Phenikaa |
| collection |
Digital Phenikaa |
| language |
English |
| topic |
Molecular dynamics A-Si3N4 |
| spellingShingle |
Molecular dynamics A-Si3N4 Vinh, V.Le Dinh, Thi Hinh Tensile deformation mechanism of amorphous silicon nitride: Insights from molecular dynamics simulations |
| description |
The molecular dynamics simulations have been carried out to investigate the mechanical behaviors of amorphous silicon nitride under the uniaxial tensile deformation. The amorphous silicon nitride was obtained by the cooling process. The network structure of the sample consists of SiNx (x = 3, 4 and 5) units and NSiy (y = 2, 3 and 4) linkages. The stress-strain curve of the sample exhibits the elastic and plastic deformation. The Si-N bond lengths are stretched out in the elastic region and the plastic region I. They are shrunk to the initial state in the plastic region II due to the appearance of the large clusters which contain the overlapping big simplexes with the RS ≥ 2.4 Å. These big simplexes tend to appear at the shear transformation zones in the elastic region. These shear transformation zones tend to form the shear band inclined 45° with the tensile direction. The big simplexes grow and coalesce along the shear band in the plastic region I. In the plastic region II, the clusters of big simplexes grow in the shear band, causing the crack propagation across the sample |
| format |
Bài trích |
| author |
Vinh, V.Le Dinh, Thi Hinh |
| author_facet |
Vinh, V.Le Dinh, Thi Hinh |
| author_sort |
Vinh, V.Le |
| title |
Tensile deformation mechanism of amorphous silicon nitride: Insights from molecular dynamics simulations |
| title_short |
Tensile deformation mechanism of amorphous silicon nitride: Insights from molecular dynamics simulations |
| title_full |
Tensile deformation mechanism of amorphous silicon nitride: Insights from molecular dynamics simulations |
| title_fullStr |
Tensile deformation mechanism of amorphous silicon nitride: Insights from molecular dynamics simulations |
| title_full_unstemmed |
Tensile deformation mechanism of amorphous silicon nitride: Insights from molecular dynamics simulations |
| title_sort |
tensile deformation mechanism of amorphous silicon nitride: insights from molecular dynamics simulations |
| publisher |
Elsevier |
| publishDate |
2022 |
| url |
https://www.sciencedirect.com/science/article/abs/pii/S0022309321007420?via%3Dihub https://dlib.phenikaa-uni.edu.vn/handle/PNK/5725 https://doi.org/10.1016/j.jnoncrysol.2021.121381 |
| _version_ |
1751856279726325760 |
| score |
8.891787 |