研究目的
Investigating the elastic property of bulk silicon nanomaterials using the atomic finite element method.
研究成果
The AFEM is an accurate atomic simulation method for bulk nanomaterials. It is found that [110] nanowires have the largest Young’s modulus while [100] nanowires have the smallest value. The method is much faster than molecular dynamics.
研究不足
The study is limited to silicon nanowires with specific crystallographic orientations and does not explore the effects of other materials or orientations.
1:Experimental Design and Method Selection:
The atomic finite element method (AFEM) is used to study the elastic properties of silicon nanowires (SiNWs) with different crystallographic orientations. The Tersoff-Brenner potential describes the atomic interactions.
2:Sample Selection and Data Sources:
SiNWs grown along the [100], [110], and [111] crystallographic orientations are studied.
3:List of Experimental Equipment and Materials:
Fortran codes are used for assembling the stiffness matrix and force vector, and solving the equation system.
4:Experimental Procedures and Operational Workflow:
Initial configurations of SiNWs are constructed, boundary conditions are applied, displacement fields are imposed to simulate axial tension or compression, and the total energy is obtained as a function of strain.
5:Data Analysis Methods:
Polynomial curve fitting is used to calculate Young’s modulus and Poisson ratio.
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