Copper precipitate hardening of irradiated RPV materials and implications on the superposition law and re-irradiation kinetics

Chaouadi, R.; Gérard, R.

doi:10.1016/j.jnucmat.2005.05.001

Cited by 69 publications

(32 citation statements)

References 11 publications

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“…The state-of-the art theoretical description of Mn in Fe has a large impact on our understanding of phenomena such as solute clustering 1 and vacancy-solute clustering 2 , which compromise the structural integrity of the steels during operation. The former occurs in the ferritic phase of duplex steels as a result of thermal ageing (573 -773 K for >1000 h) [3][4][5] and in low-alloy steels [6][7][8] resulting from longterm (> 1 year) elevated temperature (~550 K); the latter, occurs due to neutron irradiation damage, which is of interest to life extension of nuclear fission reactors and for fast neutron damage of steels to be used in future fusion reactors. It is therefore important for atomic scale processes such as binding, substitution and migration to be understood at a fundamental level, to be used in high order methods and analyses [9][10][11][12][13] to model these phenomena in industrial settings.…”

Section: Introductionmentioning

confidence: 99%

Density functional theory study of the magnetic moment of solute Mn in bcc Fe

et al. 2018

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Abstract. An unexplained discrepancy exists between the experimentally measured and theoretically calculated magnetic moments of Mn in -Fe. In this study, we use density functional theory to suggest that this discrepancy is likely due to the local strain environment of a Mn atom in the Fe structure. The ferromagnetic coupling, found by experiment, was shown to be metastable and could be stabilised by a 2% hydrostatic compressive strain. The effects of Mn concentration, vacancies and interstitial defects on the magnetic moment of Mn are also discussed. It was found that the ground state, antiferromagnetic (AFM) coupling of Mn to Fe requires long range tensile relaxations of the neighbouring atoms along <111> which is hindered in the presence of other Mn atoms. Vacancies and Fe interstitial defects stabilise the AFM coupling but are not expected to have a large effect on the average measured magnetic moment.

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Section: Introductionmentioning

confidence: 99%

Density functional theory study of the magnetic moment of solute Mn in bcc Fe

et al. 2018

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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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“…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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Copper precipitate hardening of irradiated RPV materials and implications on the superposition law and re-irradiation kinetics

Cited by 69 publications

References 11 publications

Density functional theory study of the magnetic moment of solute Mn in bcc Fe

Density functional theory study of the magnetic moment of solute Mn in bcc Fe

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

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