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 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 mechan-ical 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 .
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