Simulation of the interaction between an edge dislocation and $$\langle$$111$$\rangle$$ interstitial dislocation loops in α-iron
Abstract
The dependence of the interactions of intermediate-size ½<111> self-interstitial atom (SIA) loops with an edge dislocation on strain rate and temperature was discovered by molecular dynamics (MD) simulations for the interatomic potential derived by Ackland et al. (A97). For low temperatures ($$T$$ =1 K), the mechanisms of the interactions were in agreement with recent literature. It was demonstrated that a second passing of the dislocation through the loop led to a different mechanism than the one that occurred upon first passing. Since these mechanisms are associated with different SIA loop sizes, and since the loop lost a number of SIAs upon first interaction, it was deduced that the dividing threshold between large and small loops (rendering them strong or weak obstacles, respectively) is at the vicinity of the loop size studied (169 SIAs). For higher temperatures ($$T$$ = 300 K), the strain rate dependence proved strong: for low strain rates, the dislocation absorbed the loop as a double super-jog almost immediately and continued its glide unimpeded. For a high strain rate, the dislocation was initially pinned due to the formation of an almost sessile segment leading to high critical stress.
- Authors:
-
[2]
- Univ. of Liverpool (United Kingdom)
- Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States)
- Publication Date:
- Research Org.:
- Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States)
- Sponsoring Org.:
- USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22). Materials Sciences & Engineering Division; UK Engineering and Physical Sciences Research Council
- OSTI Identifier:
- 1542218
- Grant/Contract Number:
- AC05-00OR22725
- Resource Type:
- Accepted Manuscript
- Journal Name:
- Radiation Effects and Defects in Solids
- Additional Journal Information:
- Journal Volume: 174; Journal Issue: 3-4; Journal ID: ISSN 1042-0150
- Publisher:
- Taylor and Francis
- Country of Publication:
- United States
- Language:
- English
- Subject:
- 36 MATERIALS SCIENCE; Molecular dynamics; edge dislocation; dislocation loop; alpha-iron; radiation damage
Citation Formats
Grammatikopoulos, Panagiotis, Bacon, David J., and Osetsky, Yuri N. Simulation of the interaction between an edge dislocation and $\langle$111$\rangle$ interstitial dislocation loops in α-iron. United States: N. p., 2019.
Web. doi:10.1080/10420150.2018.1564922.
Grammatikopoulos, Panagiotis, Bacon, David J., & Osetsky, Yuri N. Simulation of the interaction between an edge dislocation and $\langle$111$\rangle$ interstitial dislocation loops in α-iron. United States. https://doi.org/10.1080/10420150.2018.1564922
Grammatikopoulos, Panagiotis, Bacon, David J., and Osetsky, Yuri N. Sun .
"Simulation of the interaction between an edge dislocation and $\langle$111$\rangle$ interstitial dislocation loops in α-iron". United States. https://doi.org/10.1080/10420150.2018.1564922. https://www.osti.gov/servlets/purl/1542218.
@article{osti_1542218,
title = {Simulation of the interaction between an edge dislocation and $\langle$111$\rangle$ interstitial dislocation loops in α-iron},
author = {Grammatikopoulos, Panagiotis and Bacon, David J. and Osetsky, Yuri N.},
abstractNote = {The dependence of the interactions of intermediate-size ½<111> self-interstitial atom (SIA) loops with an edge dislocation on strain rate and temperature was discovered by molecular dynamics (MD) simulations for the interatomic potential derived by Ackland et al. (A97). For low temperatures ($T$ =1 K), the mechanisms of the interactions were in agreement with recent literature. It was demonstrated that a second passing of the dislocation through the loop led to a different mechanism than the one that occurred upon first passing. Since these mechanisms are associated with different SIA loop sizes, and since the loop lost a number of SIAs upon first interaction, it was deduced that the dividing threshold between large and small loops (rendering them strong or weak obstacles, respectively) is at the vicinity of the loop size studied (169 SIAs). For higher temperatures ($T$ = 300 K), the strain rate dependence proved strong: for low strain rates, the dislocation absorbed the loop as a double super-jog almost immediately and continued its glide unimpeded. For a high strain rate, the dislocation was initially pinned due to the formation of an almost sessile segment leading to high critical stress.},
doi = {10.1080/10420150.2018.1564922},
journal = {Radiation Effects and Defects in Solids},
number = 3-4,
volume = 174,
place = {United States},
year = {Sun Mar 17 00:00:00 EDT 2019},
month = {Sun Mar 17 00:00:00 EDT 2019}
}
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