Presentation Information

[1G10]Molecular Dynamics Analysis of FeMnNi(Cu) Cluster Stability Structures in Reactor Pressure Vessel Steels

*Yuting Chen1, Kazunori Morishita1 (1. Kyoto Univ.)

Keywords:

FeMnNi Clusters,Molecular Dynamics method,Stability Structure Analysis

Understanding the embrittlement behavior of reactor pressure vessel (RPV) steel is crucial for evaluating its safety and lifespan. In high-copper alloys, impurity aggregation forming Mn-Ni-Si clusters has been observed. Similarly, in low-copper alloys under high irradiation doses, rapid formation of MnNi or MnNiSi precipitates occurs. These clusters influence the crystalline properties of alloys, and accelerating material embrittlement. While experimental studies confirm their existence, the microstructural characteristics and stability of these clusters remain unclear. This study uses molecular dynamics (MD) simulations to model the formation of FeMnNi(Cu) clusters. The simulation results clarified the effect of the composition of each alloy component on the stable structure and formation process of the cluster.