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Title: Effects of applied strain on nanoscale self-interstitial cluster formation in BCC iron

Abstract

The effect of applied strains on the configurational evolution of self-interstitial clusters in BCC iron (Fe) is explored with atomistic simulations. A novel cluster configuration is discovered at low temperatures (<600 K), which consists of <110> dumbbells and <111> crowdions in a specific configuration, resulting in an immobile defect. The stability and diffusion of this cluster at higher temperatures is explored. In addition, an anisotropy distribution factor of a particular [hkl] interstitial loop within the family of loops is calculated as a function of strain. The results show that loop anisotropy is governed by the angle between the stress direction and the orientation of the <111> crowdions in the loop, and directly linked to the stress induced preferred nucleation of self-interstitial atoms.

Authors:
; ORCiD logo; ;
Publication Date:
Research Org.:
Pacific Northwest National Lab. (PNNL), Richland, WA (United States)
Sponsoring Org.:
USDOE
OSTI Identifier:
1368109
Report Number(s):
PNNL-SA-122899
Journal ID: ISSN 0022-3115; AT2030110
DOE Contract Number:
AC05-76RL01830
Resource Type:
Journal Article
Resource Relation:
Journal Name: Journal of Nuclear Materials; Journal Volume: 493; Journal Issue: C
Country of Publication:
United States
Language:
English
Subject:
11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS; self-interstitial cluster; strain effect; anisotropy distribution factor; dislocation loop; molecular dynamics

Citation Formats

Gao, Ning, Setyawan, Wahyu, Kurtz, Richard J., and Wang, Zhiguang. Effects of applied strain on nanoscale self-interstitial cluster formation in BCC iron. United States: N. p., 2017. Web. doi:10.1016/j.jnucmat.2017.05.044.
Gao, Ning, Setyawan, Wahyu, Kurtz, Richard J., & Wang, Zhiguang. Effects of applied strain on nanoscale self-interstitial cluster formation in BCC iron. United States. doi:10.1016/j.jnucmat.2017.05.044.
Gao, Ning, Setyawan, Wahyu, Kurtz, Richard J., and Wang, Zhiguang. Fri . "Effects of applied strain on nanoscale self-interstitial cluster formation in BCC iron". United States. doi:10.1016/j.jnucmat.2017.05.044.
@article{osti_1368109,
title = {Effects of applied strain on nanoscale self-interstitial cluster formation in BCC iron},
author = {Gao, Ning and Setyawan, Wahyu and Kurtz, Richard J. and Wang, Zhiguang},
abstractNote = {The effect of applied strains on the configurational evolution of self-interstitial clusters in BCC iron (Fe) is explored with atomistic simulations. A novel cluster configuration is discovered at low temperatures (<600 K), which consists of <110> dumbbells and <111> crowdions in a specific configuration, resulting in an immobile defect. The stability and diffusion of this cluster at higher temperatures is explored. In addition, an anisotropy distribution factor of a particular [hkl] interstitial loop within the family of loops is calculated as a function of strain. The results show that loop anisotropy is governed by the angle between the stress direction and the orientation of the <111> crowdions in the loop, and directly linked to the stress induced preferred nucleation of self-interstitial atoms.},
doi = {10.1016/j.jnucmat.2017.05.044},
journal = {Journal of Nuclear Materials},
number = C,
volume = 493,
place = {United States},
year = {Fri Sep 01 00:00:00 EDT 2017},
month = {Fri Sep 01 00:00:00 EDT 2017}
}