Abstract: A new method for the acceleration of MD (molecular dynamics) simulation of ion implantation into crystalline targets is presented. The READE (Rare Event Algorithm with Dose Effect) method can well speed up the MD simulation of ion implantation with dose effect. As a result, the time required performing a simulation with high precision and dose effect is drastically reduced. And many details producing statistical noise in simulation is involved in the READE and help it to be more reasonable and reliable.

Key words: statistical noise, dose effect, ion implantation, READE, MD simulation

摘要： 提出了一种用于分子动力学（MD）模拟晶体靶材料中离子注入的加速算法。READE（包含剂量效应的稀有事件算法）方法可以很好的加速含剂量效应的离子注入的分子动力学模拟。在保证高精度和剂量效应的同时，模拟的时间大幅度减小。同时，在模拟中许多导致统计噪声的细节在READE中被考虑进来，并使得READE更加合理和可信。

关键词: 统计噪声, 剂量效应, 离子注入, READE, 分子动力学模拟