压水堆RPV钢服役条件苛刻,导致其性能降级的主要因素为中子辐照脆化,其中LBP相是其长期辐照后硬化脆化的重要因素之一,研究LBP相的形核机理有助于理解RPV钢的辐照损伤,从而有助于建立物理的脆化预测模型。本工作利用DYMOKA程序,采用分子静力学方法研究了RPV钢中LBP相可能的籽核构型。采用遍历的方法研究了Cu、Mn、Ni等溶质原子与点缺陷(空位和间隙原子)的不同组合方式, The main reason for the degradation of PWR steel is the embrittlement of the neutron irradiation. The LBP phase is one of the important factors of the hardening and embrittlement after long-term irradiation. The nucleation mechanism of the LBP phase is studied It helps to understand the radiation damage of RPV steels and helps to establish a physical embrittlement prediction model. In this work, DYMOKA program was used to study the possible nuclear configuration of LBP phase in RPV steel by molecular static method. Different combinations of solute atoms and point defects (vacancies and interstitials) of Cu, Mn, Ni and so on were studied by means of ergodicity.