6H-SiC辐照条件下缺陷形成过程的分子动力学模拟

辐照环境会使材料出现位移损伤,在材料内部产生缺陷。为了研究6H-SiC晶体材料在受到辐照时缺陷的形成过程,基于分子动力学方法,采用LAMMPS软件模拟了6H-SiC材料在不同辐照能量、不同温度时辐照缺陷的形成过程,也进一步探究了材料屈服强度受辐照的影响。结果表明,缺陷数目随辐照能量增大而增多,且呈线性关系,温度对缺陷数目的影响无明显规律,屈服强度随辐照能量增大而减小,并且受到拉伸方向的影响。

Molecular Dynamics Simulation of Defect Formation Under Irradiation for 6H-SiC

Irradiated environment will cause the material displacement damage and produce defects in the material. In order to study the defect formation process of 6H-SiC crystal material when it is irradiated, based on molecular dynamics method, LAMMPS software is used to simulate the formation process of radiation defect of 6H-SiC material at different irradiation energy and temperature, and the effect of radiation on the yield strength of the material is further explored. The results show that the number of defects increases linearly with the increase of irradiation energy, the effect of temperature on the number of defects has no obvious rule, and the yield strength decreases with the increase of irradiation energy and is affected by the tensile direction.