Atomistic modeling of nanosized Cr precipitate contribution to hardening in an Fe-Cr alloy
- Atomistic modeling of nanosized Cr precipitate contribution to hardening in an Fe-Cr alloy
- 심재혁; 김동익; 정우상; 조영환; Brian D. Wirth
- Molecular dynamics; Irradiation; Nuclear reactor; Dislocation; Precipitate; Fe-Cr; Steel
- Issue Date
- JOURNAL OF NUCLEAR MATERIALS
- VOL 386-388, 56-59
- Molecular dynamics simulations of the interaction between an edge dislocation and nanosized Cr precipitates
in bcc Fe have been performed to investigate the hardening effect of a0 phases in high Cr ferritic/
martensitic steels. The critical resolved shear stress needed for an edge dislocation to overcome Cr precipitates
of diameter between 3 and 6 nm is larger than for dislocation glide in the bcc Fe lattice containing
10% Cr solute atoms. This indicates that the precipitation of a0 phases leads to hardening in high Cr
ferritic/martensitic steels. The MD simulations reveal that the interspacing of Cr precipitates plays a more
crucial role in the hardening of Fe–Cr alloys than the precipitate size. An attractive interaction exists
between an edge dislocation and nanosized Cr precipitates, which is evident as a decrease in total energy
when an edge dislocation is placed within in a Cr precipitate.
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