Method for simulating displacement damage of ternary compound semiconductor based on molecular dynamics

The invention provides a method for simulating displacement damage of a ternary compound semiconductor based on molecular dynamics, which solves the problems of incomplete interatomic potential function and inaccurate simulation parameters in the existing initial damage, and comprises the following steps: step 1, obtaining and optimizing a potential energy function; 2, establishing an initial displacement damage model, and determining simulation parameters; 3, performing a relaxation process before initial damage simulation; 4, performing initial damage simulation; and 5, performing simulating for multiple times and obtianng an average value. According to the method, on the basis of an established initial damage model, microcosmic defect evolution behaviors are obtained from change factors such as energy, components and temperature, the damage mechanism is analyzed, and theoretical support is provided for later multi-scale simulation work. 本发明提供一种基于分子动力学模拟三元化合物半导体位移损伤的方法，解决现有初始损伤存在着原子间势函数不够完善、仿真参数不够准确的问题，该方法包