Effects of crystallographic structure and Cr on the rate of void nucleation in BCC Fe: An atomistic simulation study

Authors
Lee, Byeong-JooShim, Jae-HyeokKwon, Junhyun
Issue Date
2008-06
Publisher
KOREAN INST METALS MATERIALS
Citation
METALS AND MATERIALS INTERNATIONAL, v.14, no.3, pp.283 - 290
Abstract
Atomistic Monte Carlo simulations based on modified embedded-atom method (MEAM) interatomic potentials have been carried out to clarify the differences in swelling rates between bcc and fcc Fe and between pure bcc Fe and bcc Fe-Cr alloys. Assuming that the transient regimes prior to the onset of steady-state swelling correspond to the void nucleation stage, the effect of crystallographic structure (bcc vs. fcc) or Cr alloying on the void nucleation rate under a given amount of supersaturated vacancies was examined. It was found that the void nucleation rate is much higher in fcc Fe than in bcc Fe. Randomly distributed Cr atoms slightly increase the void nucleation rate in bcc Fe, but microstructural evolutions such as the precipitation of Cr-rich phase have more decisive effects, serving as a vacancy sink. The reasons for the individual results are rationalized in terms of the binding energy of vacancy clusters and the size difference between Fe and Cr atoms.
Keywords
CASCADE DAMAGE CONDITIONS; PRODUCTION BIAS; IRRADIATION; METALS; EVOLUTION; ALLOYS; SYSTEM; MICROSTRUCTURE; INJECTION; DEFECT; CASCADE DAMAGE CONDITIONS; PRODUCTION BIAS; IRRADIATION; METALS; EVOLUTION; ALLOYS; SYSTEM; MICROSTRUCTURE; INJECTION; DEFECT; Monte Carlo simulation; modified embedded-atom method; nucleation of void; iron; iron-chromium alloys
ISSN
1598-9623
URI
https://pubs.kist.re.kr/handle/201004/133466
DOI
10.3365/met.mat.2008.06.283
Appears in Collections:
KIST Article > 2008
Files in This Item:
There are no files associated with this item.
Export
RIS (EndNote)
XLS (Excel)
XML

qrcode

Items in DSpace are protected by copyright, with all rights reserved, unless otherwise indicated.

BROWSE