应用VASP分析含氧碳化硅的拉伸性能

Analysis on Tensile Property of Oxygen Doped SiC by VASP

1.
School of Nuclear Science and Engineering, North China Electric Power University, Beijing 102206, China
2.
College of Mechanical and Power Engineering, Three Gorges University, Yichang 443002, China

摘要: 利用VASP模拟了含氧碳化硅晶体的理想拉伸过程，研究间隙位氧原子和替换位氧原子对碳化硅机械性能的影响。研究发现掺氧碳化硅的应力应变曲线在峰值之后出现突然下降，说明含氧碳化硅的机械性能发生了变化。同时还分析了不同掺氧方式碳化硅模型的拉伸强度和杨氏模量，结果显示，含氧碳化硅的拉伸强度和杨氏模量均有不同程度的减弱。
- VASP ,
- 含氧碳化硅 ,
- 拉伸强度 ,
- 杨氏模量
Abstract: VASP code was used to study the ideal tensile process of oxygen doped SiC in this paper. The effects of the oxygen interstitial and substitution models on the mechanical property of SiC were studied. The results show that a brittle deformation occurs in the tensile process of oxygen doped SiC after the peak of stressstrain curve, indicating the change of mechanical property of oxygen doped SiC. The tensile strength and Young’s modulus of SiC with different oxygen doped models were calculated. The results show that compared with the bulk SiC, both the tensile strength and the Young’s modulus of oxygen doped SiC are reduced in some extend.
- VASP ,
- oxygen doped SiC ,
- tensile strength ,
- Young’s modulus

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