Numerical evaluation of dislocation loop sink strengths: A phase-field approach

Rouchette, H.; Thuinet, Ludovic; Legris, Alexandre; Ambard, Antoine; Domain, Christophe

doi:10.1016/j.nimb.2015.01.006

Cited by 10 publications

(5 citation statements)

References 26 publications

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“…Whatever the correction, one sees that the larger loop grows, while the smaller loop shrinks. This result is in agreement with bias calculations on single loops, which show that the bias increases with loop size [28,29,30]. Since vacancies and interstitials are produced at the same rate, the number of interstitials in loops stays constant, providing no defects remain in the matrix.…”

Section: Application: Loop Evolution Under Irradiationsupporting

confidence: 90%

“…Whatever the correction, one sees that the larger loop grows, while the smaller loop shrinks. This result is in agreement with bias calculations on single loops, which show that the bias increases with loop size [28,29,30]. Differences in loop evolution are clearly observed for the various corrections envisaged, although they remain small from an experimental point of view.…”

Section: Application: Loop Evolution Under Irradiationsupporting

confidence: 90%

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Simulation of macroscopic systems with non-vanishing elastic dipole components

Jourdan

2019

Journal of the Mechanics and Physics of Solids

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To simulate a macroscopic system from a simulation cell, a direct summation of the elastic fields produced by periodic images can be used. If the cell contains a non-zero elastic dipole component, the sum is known to be conditionally convergent. In analogy with systems containing electric or magnetic dipoles, we show that the sum introduces a component which only depends on the shape of the summation domain and on the dipole density. A correction to the direct summation is proposed for the strain and stress fields in the simulation cell, which ensures that zero tractions are imposed on the boundary of the macroscopic system. The elastic fields then do not depend anymore on the shape of the domain. The effect of this correction is emphasized on the kinetics of dislocation loop growth by absorption of point defects. It is shown that correcting elastic fields has an influence on the kinetics if defects have different properties at stable and saddle points.

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Section: Application: Loop Evolution Under Irradiationsupporting

confidence: 90%

“…Whatever the correction, one sees that the larger loop grows, while the smaller loop shrinks. This result is in agreement with bias calculations on single loops, which show that the bias increases with loop size [28,29,30]. Differences in loop evolution are clearly observed for the various corrections envisaged, although they remain small from an experimental point of view.…”

Section: Application: Loop Evolution Under Irradiationsupporting

confidence: 90%

Simulation of macroscopic systems with non-vanishing elastic dipole components

Jourdan

2019

Journal of the Mechanics and Physics of Solids

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“…On average, the growth rate increases with the loop radius, although values are very scattered. This result is consistent with experiments and with the bias calculations on isolated loops, which show a strong increase of bias for small radii and a plateau at around 10 nm [66,67]. The large scattering of growth rates points to an additional effect of the surrounding microstructure on the loop behaviour.…”

Section: Evolution Of Dislocation Loops In Thin Foils Under Irradiationsupporting

confidence: 90%

“…In general, small loops tend to exhibit lower growth rates than large loops, which points to an increase of the elastic bias with size. Numerical evaluations of bias of isolated loops are consistent with these findings [65][66][67].…”

Section: Evolution Of Dislocation Loops In Thin Foils Under Irradiationsupporting

confidence: 72%

Object kinetic Monte Carlo modelling of irradiation microstructures with elastic interactions

Jourdan¹

2022

Modelling Simul. Mater. Sci. Eng.

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Elastic interactions between point defects and sinks, such as dislocations and cavities, aﬀect the diﬀusion of point defects and are responsible for some of the features observed in microstructures under irradiation. It is therefore necessary to include elastic interactions in kinetic simulations for a quantitative prediction of material properties. In this work a method is presented to accurately and eﬃciently evaluate the strain ﬁeld in object kinetic Monte Carlo simulations. It can handle any strain ﬁeld which is biharmonic, such as the one generated by a dislocation segment or a cavity in isotropic elasticity. A speed-up of several orders of magnitude is obtained compared to the direct summation over strain sources, so that simulations over experimental time scales can be performed within reasonable computation times. The case of a thin foil containing a high density of loops under irradiation is investigated. Loop growth rates are found to depend on the loop radius, as shown experimentally, but more complex eﬀects due to the surrounding microstructure are also highlighted.

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“…The PF method in this work is based on the previous method of Rouchette et al [29][30][31], used to evaluate the sink strengths of dislocation loops interacting elastically with PDs. We use an explicit numerical scheme to solve Eq.…”

Section: Numeric Scheme and Algorithmmentioning

confidence: 99%

Atomic-based phase-field method for the modeling of radiation induced segregation in Fe–Cr

Piochaud

Nastar

Soisson

et al. 2016

Computational Materials Science

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We present a quantitative phase-field modeling of radiation-induced segregation in Fe-Cr alloys. The evolution of chemical and point defect concentration fields are described by an Onsager formalism combined to a Cahn-Hilliard like diffusion equation for the introduction of non-uniform driving forces. Both the Onsager transport coefficients and the driving force parameters are extracted from atomic Monte Carlo simulations with point defect diffusion models fitted on DFT calculations, in a composition range between 0 and 20 at.% Cr and in a temperature range between 600 and 1000 K. Phase-field simulations are able to quantitatively reproduce the evolution of segregation profiles obtained from direct atomistic kinetic Monte Carlo simulations, while being typically two orders of magnitude faster. It is shown that a precise parameterization of the concentration-dependent Onsager transport coefficients, thermodynamic factors, and equilibrium point defect concentrations is crucial for the phase-field method to be quantitative.

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Numerical evaluation of dislocation loop sink strengths: A phase-field approach

Cited by 10 publications

References 26 publications

Simulation of macroscopic systems with non-vanishing elastic dipole components

Simulation of macroscopic systems with non-vanishing elastic dipole components

Object kinetic Monte Carlo modelling of irradiation microstructures with elastic interactions

Atomic-based phase-field method for the modeling of radiation induced segregation in Fe–Cr

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