Molecular dynamics (MD) simulation is conducted to investigate the primary displacement damage of GaAs_1−xN_x as a function of nitrogen atoms (N) composition x (0–0.2), where the primary knock-on atom (PKA) energy is within 10 keV. The evolution process of Frenkel pairs is similar to that of antisites. The results show that higher x increases the cascade parameters of Frenkel pairs including the thermal peak number (N_Fp), thermal peak time (t_Fp), and stable time (t_Fs) while decreasing the stable number (N_Fs). The recombine efficiency and threshold displacement energy (E_d) increase with increasing the composition x of nitrogen atoms is observed. Meanwhile, due to the existence of various antisites, there are differences between the number of vacancies and interstitials for the same element. During this change, the surviving number of Ga defects is more susceptible to be influenced. As to clusters, the fraction of clusters for vacancies is larger than that for interstitials, while the distribution of interstitials concentrates on point defects. Finally, it is found that point defects and small clusters are the main reduction objects as composition x increases.

进行分子动力学 (MD) 模拟以研究 GaAs _{1− x} N _x的主要位移损伤作为氮原子 (N) 组成x (0–0.2)的函数，其中主要碰撞原子 (PKA) 能量为10 keV以内。Frenkel 对的演化过程与反位点相似。结果表明，较高的x增加了 Frenkel 对的级联参数，包括热峰数 ( N _Fp )、热峰时间 ( t _Fp ) 和稳定时间 ( t _Fs )，同时降低了稳定数 ( N _Fs )。复合效率和阈位移能（观察到E _d ) 随着氮原子组成x的增加而增加。同时，由于各种反位点的存在，同一元素的空位和间隙数存在差异。在这种变化过程中，Ga缺陷的存活数量更容易受到影响。对于簇，空位簇的比例大于间隙的簇的比例，而间隙的分布集中在点缺陷上。最后，发现点缺陷和小簇是随着组成x增加的主要减少对象。