Solute precipitation on a screw dislocation and its effects on dislocation mobility in bcc Fe

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Solute precipitation on a screw dislocation and its effects on dislocation mobility in bcc Fe. / Pascuet, Maria Ines; Monnet, Ghiath; Martinez, Enrique; Lim, J.J.H.; Burke, M.Grace; Bonny, Giovanni; Malerba, Lorenzo.

In: Journal of Nuclear Materials, Vol. June 2019, 03.04.2019, p. 265-273.

Research output: Contribution to journalArticle

Harvard

Pascuet, MI, Monnet, G, Martinez, E, Lim, JJH, Burke, MG, Bonny, G & Malerba, L 2019, 'Solute precipitation on a screw dislocation and its effects on dislocation mobility in bcc Fe' Journal of Nuclear Materials, vol June 2019, pp. 265-273. DOI: 10.1016/j.jnucmat.2019.04.007

APA

Pascuet, M. I., Monnet, G., Martinez, E., Lim, J. J. H., Burke, M. G., Bonny, G., & Malerba, L. (2019). Solute precipitation on a screw dislocation and its effects on dislocation mobility in bcc Fe. Journal of Nuclear Materials, June 2019, 265-273. DOI: 10.1016/j.jnucmat.2019.04.007

Vancouver

Pascuet MI, Monnet G, Martinez E, Lim JJH, Burke MG, Bonny G et al. Solute precipitation on a screw dislocation and its effects on dislocation mobility in bcc Fe. Journal of Nuclear Materials. 2019 Apr 3;June 2019:265-273. Available from, DOI: 10.1016/j.jnucmat.2019.04.007

Author

Pascuet, Maria Ines; Monnet, Ghiath; Martinez, Enrique; Lim, J.J.H.; Burke, M.Grace; Bonny, Giovanni; Malerba, Lorenzo / Solute precipitation on a screw dislocation and its effects on dislocation mobility in bcc Fe.

In: Journal of Nuclear Materials, Vol. June 2019, 03.04.2019, p. 265-273.

Research output: Contribution to journalArticle

Bibtex - Download

@article{69a406ca675443618dfee96b12ebefbb,
title = "Solute precipitation on a screw dislocation and its effects on dislocation mobility in bcc Fe",
keywords = "iron alloys, Segregation, screw dislocation mobility, Monte Carlo",
author = "Pascuet, {Maria Ines} and Ghiath Monnet and Enrique Martinez and J.J.H. Lim and M.Grace Burke and Giovanni Bonny and Lorenzo Malerba",
note = "Score=10",
year = "2019",
month = "4",
doi = "10.1016/j.jnucmat.2019.04.007",
volume = "June 2019",
pages = "265--273",
journal = "Journal of Nuclear Materials",
issn = "0022-3115",
publisher = "Elsevier",

}

RIS - Download

TY - JOUR

T1 - Solute precipitation on a screw dislocation and its effects on dislocation mobility in bcc Fe

AU - Pascuet,Maria Ines

AU - Monnet,Ghiath

AU - Martinez,Enrique

AU - Lim,J.J.H.

AU - Burke,M.Grace

AU - Bonny,Giovanni

AU - Malerba,Lorenzo

N1 - Score=10

PY - 2019/4/3

Y1 - 2019/4/3

N2 - Reactor pressure vessel steels are well-known to harden and embrittle under neutron irradiation. The primary mechanism of radiation embrittlement for these bainitic steels is the obstruction of dislocation motion, mainly due to clusters or precipitates of solute atoms such as Cu, Ni, Mn, Si and P. Microstructural examinations reveal that these clusters or precipitates are often preferentially formed at dislocation lines, which are sometimes completely surrounded by segregated solute clusters. Evidence of this is provided in this work, too, which extends a previous one dedicated to edge dislocations, by studying the effect of this segregation around screw dislocations (Burgers vector b = 1/2 [111]) on the critical stress for dislocation motion. A Monte Carlo algorithm in a variance-constrained semi-grand canonical (VC-SGC) ensemble is applied to study the decoration of atoms around dislocations, by minimizing the free energy. Next, the critical stress for dislocation unpinning from the clusters is evaluated by standard molecular dynamics to analyze the effect of Cu, Ni, Mn, and P segregation in the Fe matrix. Consistently with expectations and in agreement with previous work, our results highlight that the required stress for triggering dislocation motion drastically increases due to the presence of segregated solutes. Our finding is that solute-decorated screw dislocations may be considered as practically immobile because of the strong segregation around them

AB - Reactor pressure vessel steels are well-known to harden and embrittle under neutron irradiation. The primary mechanism of radiation embrittlement for these bainitic steels is the obstruction of dislocation motion, mainly due to clusters or precipitates of solute atoms such as Cu, Ni, Mn, Si and P. Microstructural examinations reveal that these clusters or precipitates are often preferentially formed at dislocation lines, which are sometimes completely surrounded by segregated solute clusters. Evidence of this is provided in this work, too, which extends a previous one dedicated to edge dislocations, by studying the effect of this segregation around screw dislocations (Burgers vector b = 1/2 [111]) on the critical stress for dislocation motion. A Monte Carlo algorithm in a variance-constrained semi-grand canonical (VC-SGC) ensemble is applied to study the decoration of atoms around dislocations, by minimizing the free energy. Next, the critical stress for dislocation unpinning from the clusters is evaluated by standard molecular dynamics to analyze the effect of Cu, Ni, Mn, and P segregation in the Fe matrix. Consistently with expectations and in agreement with previous work, our results highlight that the required stress for triggering dislocation motion drastically increases due to the presence of segregated solutes. Our finding is that solute-decorated screw dislocations may be considered as practically immobile because of the strong segregation around them

KW - iron alloys

KW - Segregation

KW - screw dislocation mobility

KW - Monte Carlo

UR - http://ecm.sckcen.be/OTCS/llisapi.dll/open/33761410

U2 - 10.1016/j.jnucmat.2019.04.007

DO - 10.1016/j.jnucmat.2019.04.007

M3 - Article

VL - June 2019

SP - 265

EP - 273

JO - Journal of Nuclear Materials

T2 - Journal of Nuclear Materials

JF - Journal of Nuclear Materials

SN - 0022-3115

ER -

ID: 5102424