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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 t... |
The Al2O3.2SiO2 glass sample was constructed by using the molecular dynamics method. The structural characteristics were analyzed by the pair radial distribution function, bond angle distribution, coordination number, simplex analysis and local configurat |
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 t... |
