Precipitates of Cr at Σ3 <110> {112} GB in α-Fe

Conference · Thu Jan 02 04:00:00 EST 2014

DOI:https://doi.org/10.1557/opl.2014.255· OSTI ID:1324915

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

Precipitates of Cr at Σ3 <110> {112} GB in α-Fe have been studied using molecular dynamics with a two-band embedded atomic model potential. The accumulation and segregation of Cr atoms and the evolution of the GB depend on local Cr concentration and temperature. At the early stage, with the existence of vacancies, the strong attraction of Cr with the GB core provides a pathway for Cr atoms to quickly accumulate within the GB core. With the increase of Cr concentration, the size of Cr dilute precipitates increases dramatically. And the strong segregation of Cr at the GB is observed, when Cr concentration reach 20%. Also, the size of Cr precipitates increases with increasing the temperatures from 300 K to 1000 K. The accumulation and segregation of Cr atoms at the GB lead to significant deformation of the GB structure and the formation of GB steps, causing the displacement and broadening of the GB.

• Research Organization: Pacific Northwest National Laboratory (PNNL), Richland, WA (US)
• Sponsoring Organization: USDOE
• DOE Contract Number: AC05-76RL01830
• OSTI ID: 1324915
• Report Number(s): PNNL-SA-101400; 600305000
• Country of Publication: United States
• Language: English

Related Subjects

Grain boundary
Iron alloys
Precipitates