Thermodynamic and kinetic modeling of Mn-Ni-Si precipitates in low-Cu reactor pressure vessel steels

TL;DR

This paper introduces a semi-empirical cluster dynamics model based on CALPHAD thermodynamics and radiation-enhanced diffusion to predict Mn-Ni-Si precipitate evolution in low-Cu reactor pressure vessel steels, aiding understanding of irradiation embrittlement.

Contribution

The model uniquely combines thermodynamics and kinetics with minimal adjustable parameters to predict MNSP formation and growth, including heterogeneous nucleation on cascade damage.

Findings

Heterogeneous nucleation is critical in low-Ni alloys.

Ni content dominates MNSP formation effects.

Temperature variations significantly impact MNSP evolution.

Abstract

Formation of large volume fractions of Mn-Ni-Si precipitates (MNSPs) causes excess irradiation embrittlement of reactor pressure vessel (RPV) steels at high, extended-life fluences. Thus, a new and unique, semi-empirical cluster dynamics model was developed to study the evolution of MNSPs in low- Cu RPV steels. The model is based on CALPHAD thermodynamics and radiation enhanced diffusion ki- netics. The thermodynamics dictates the compositional and temperature dependence of the free energy reductions that drive precipitation. The model treats both homogeneous and heterogeneous nucleation, where the latter occurs on cascade damage, like dislocation loops. The model has only four adjustable parameters that were fit to an atom probe tomography (APT) database. The model predictions are in semi-quantitative agreement with systematic Mn, Ni and Si composition variations in alloys character- ized by APT, including a sensitivity to local tip-to-tip variations even in the same steel. The model predicts that heterogeneous nucleation plays a critical role in MNSP formation in lower alloy Ni contents. Single variable assessments of compositional effects show that Ni plays a dominant role, while even small variations in irradiation temperature can have a large effect on theMNSP evolution. Within typical RPV steel ranges, Mn and Si have smaller effects. The delayed but then rapid growth of MNSPs to large volume fractions at high fluence is well predicted by the model. For purposes of illustration, the effect of MNSPs on transition temperature shifts are presented based on well-established microstructure-prop- erty and property-property models.