Nucleation of Cr precipitates in Fe-Cr alloy under irradiation

Journal Article · Wed Apr 01 00:00:00 EDT 2015 · Computational Materials Science, 101:293-300

DOI:https://doi.org/10.1016/j.commatsci.2015.01.015· OSTI ID:1182869

Dai, Y. Y.; Ao, L.; Sun, Qing- Qiang; Yang, L.; Nie, JL; Peng, SM; Long, XG; Zhou, X. S.; Zu, Xiaotao; Liu, L.; Sun, Xin; Terentyev, Dimtry; Gao, Fei

The nucleation of Cr precipitates induced by overlapping of displacement cascades in Fe-Cr alloys has been investigated using the combination of molecular dynamics (MD) and Metropolis Monte Carlo (MMC) simulations. The results reveal that the number of Frenkel pairs increases with the increasing of overlapped cascades. Overlapping cascades could promote the formation of Cr precipitates in Fe-Cr alloys, as analyzed using short range order (SRO) parameters to quantify the degree of ordering and clustering of Cr atoms. In addition, the simulations using MMC approach show that the presence of small Cr clusters and vacancy clusters formed within cascade overlapped region enhance the nucleation of Cr precipitates, leading to the formation of large Cr dilute precipitates.

• Research Organization: Pacific Northwest National Lab. (PNNL), Richland, WA (United States)
• Sponsoring Organization: USDOE
• DOE Contract Number: AC05-76RL01830
• OSTI ID: 1182869
• Report Number(s): PNNL-SA-108553
• Journal Information: Computational Materials Science, 101:293-300, Journal Name: Computational Materials Science, 101:293-300
• Country of Publication: United States
• Language: English