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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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Main Authors: Vinh, V.Le, Dinh, Thi Hinh
Format: Bài trích
Language:English
Published: Elsevier 2022
Subjects:
Molecular dynamics
A-Si3N4
Online Access: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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spelling 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

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