Irradiation-induced Cu aggregations in Fe: An origin of embrittlement of reactor pressure vessel steels

Nagai, Yasuyoshi; Tang, Zheng; Hassegawa, M.; Kanai, Tsuneyuki; Saneyasu, M.

doi:10.1103/physrevb.63.134110

Cited by 222 publications

(108 citation statements)

References 14 publications

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“…The formation of these different types of precipitates may be at least partly radiation-induced, but no consensus exists about their actual origin, nature and mechanism of formation. There is, however, consensus about the fact that the interaction of these nano-defects with dislocations is the main cause of hardening and embrittlement of these steels [7][8][9][10][11][12][13][14][15][16]. In this framework, large scale atomistic simulations in multi-component alloys are of fundamental importance with a view to cast some light on the mechanisms leading to the formation of the mentioned different classes of precipitates, as well as in order to study in detail their interaction with dislocations as source of hardening.…”

Section: Introductionmentioning

confidence: 99%

Ternary Fe–Cu–Ni many-body potential to model reactor pressure vessel steels: First validation by simulated thermal annealing

Bonny

Pasianot

Castin

et al. 2009

Philosophical Magazine

245

110

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In recent years the development of atomistic models dealing with microstructure evolution and subsequent mechanical property change in reactor pressure vessel steels has been recognised as an important complement to experiments. In this framework, a literature study has shown the necessity of many-body interatomic potentials for multi-component alloys. In this paper we develop a ternary many-body Fe-Cu-Ni potential for this purpose. As a first validation, we used it to perform a simulated thermal annealing study of the Fe-Cu and FeCu-Ni alloys. Good qualitative agreement with experiments is found, although fully quantitative comparison proved impossible, due to limitations in the used simulation techniques. These limitations are also briefly discussed here.

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Section: Introductionmentioning

confidence: 99%

Ternary Fe–Cu–Ni many-body potential to model reactor pressure vessel steels: First validation by simulated thermal annealing

Bonny

Pasianot

Castin

et al. 2009

Philosophical Magazine

245

110

View full text Add to dashboard Cite

show abstract

“…For the simulation of the phase transition process, the computational box was set at 14.9×14.9 ×14.8 nm 3 The spherical bcc Cu-rich precipitate was located in the center of the box with a radius of 5 nm. To investigate the exact role of vacancy in the phase transition of Cu-rich precipitate, vacancies were homogeneously distributed to reach concentrations of approximately 5 at.%.…”

Section: Simulation Methodsmentioning

confidence: 99%

“…It is known that one of the key elements responsible for irradiation hardening and embrittlement of RPV steels is the low solubility of Cu in Fe, which can lead to the formation and growth of nanometer-sized Cu-rich precipitates in Fe matrix. [1][2][3][4][5] Thus, the evolution of these nanometer-sized Cu-rich precipitates must be considered in hardening and embrittlement models for lifetime predictions of RPV steels. 6 Radiation-induced Cu precipitation in steels and alloys has been extensively studied by experimental methods.…”

Section: Introductionmentioning

confidence: 99%

Vacancy enhanced formation and phase transition of Cu-rich precipitates in α - iron under neutron irradiation

Zhang

et al. 2016

AIP Advances

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In this paper, we employed both molecular statics and molecular dynamics simulation methods to investigate the role of vacancies in the formation and phase transition of Cu-rich precipitates in α-iron. The results indicated that vacancies promoted the diffusion of Cu atoms to form Cu-rich precipitates. After Cu-rich precipitates formed, they further trapped vacancies. The supersaturated vacancy concentration in the Cu-rich precipitate induced a shear strain, which triggered the phase transition from bcc to fcc structure by transforming the initial bcc (110) plane into fcc (111) plane. In addition, the formation of the fcc-twin structure and the stacking fault structure in the Cu-rich precipitates was observed in dynamics simulations.

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“…Refs. [2][3][4] have highlighted that any model for the prediction of RPV steel hardening versus radiation dose (which is the basic requirement for the RPV lifetime assessment) needs to be able to account as correctly as possible for the build-up of Cu precipitate and Cuvacancy complex density.…”

Section: Introductionmentioning

confidence: 99%

Use of computational intelligence for the prediction of vacancy migration energies in atomistic kinetic monte carlo simulations

Castin¹,

Domingos²,

Malerba³

2008

IJCIS

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In this work, we try to build a regression tool to partially replace the use of CPU-time consuming atomic-level procedures for the calculation of point-defect migration energies in Atomistic Kinetic Monte Carlo (AKMC) simulations, as functions of the Local Atomic Configuration (LAC). Two approaches are considered: the Cluster Expansion (CE) and the Artificial Neural Network (ANN). The first is found to be unpromising because of its high computational complexity. On the contrary, the second provides very encouraging results and is found to be very well behaved.

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Irradiation-induced Cu aggregations in Fe: An origin of embrittlement of reactor pressure vessel steels

Cited by 222 publications

References 14 publications

Ternary Fe–Cu–Ni many-body potential to model reactor pressure vessel steels: First validation by simulated thermal annealing

Ternary Fe–Cu–Ni many-body potential to model reactor pressure vessel steels: First validation by simulated thermal annealing

Vacancy enhanced formation and phase transition of Cu-rich precipitates in α - iron under neutron irradiation

Use of computational intelligence for the prediction of vacancy migration energies in atomistic kinetic monte carlo simulations

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