An object Kinetic Monte Carlo Simulation of the dynamics of helium and point defects in tungsten

Becquart, Charlotte; Domain, Christophe

doi:10.1016/j.jnucmat.2008.11.027

Cited by 172 publications

(155 citation statements)

References 30 publications

(39 reference statements)

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“…We have used a previous complex parametrization of the W system presented by Becquart and co-workers [15,16]. We employ a 126 x 126 x 317 (depth) ran 3 W box.…”

Section: Methodsmentioning

confidence: 99%

Effect of ion flux on helium retention in helium-irradiated tungsten

Rivera¹,

Valles²,

Caturla³

et al. 2013

Nuclear Instruments and Methods in Physics Research Section B:

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Helium retention in irradiated tungsten leads to swelling, pore formation, sample exfoliation and embrittlement with deleterious consequences in many applications. In particular, the use of tungsten in future nuclear fusion plants is proposed due to its good refractory properties. However, serious concerns about tungsten survivability stems from the fact that it must withstand severe irradiation conditions. In magnetic fusion as well as in inertial fusion (particularly with direct drive targets), tungsten components will be exposed to low and high energy ion irradiation (helium), respectively. A common feature is that the most detrimental situations will take place in pulsed mode, i.e., high flux irradiation. There is increasing evidence of a correlation between a high helium flux and an enhancement of detrimental effects on tungsten. Nevertheless, the nature of these effects is not well understood due to the subtleties imposed by the exact temperature profile evolution, ion energy, pulse duration, existence of impurities and simultaneous irradiation with other species. Object Kinetic Monte Carlo is the technique of choice to simulate the evolution of radiation-induced damage inside solids in large temporal and space scales. We have used the recently developed code MMonCa (Modular Monte Carlo simulator), presented at COSIRES 2012 for the first time, to study He retention (and in general defect evolution) in tungsten samples irradiated with high intensity helium pulses. The code simulates the interactions among a large variety of defects and during the irradiation stage and the subsequent annealing steps. The results show that the pulsed mode leads to significantly higher He retention at temperatures higher than 700 K. In this paper we discuss the process of He retention in terms of trap evolution. In addition, we discuss the implications of these findings for inertial fusion.

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“…We have used a previous complex parametrization of the W system presented by Becquart and co-workers [15,16]. We employ a 126 x 126 x 317 (depth) ran 3 W box.…”

Section: Methodsmentioning

confidence: 99%

Effect of ion flux on helium retention in helium-irradiated tungsten

Rivera¹,

Valles²,

Caturla³

et al. 2013

Nuclear Instruments and Methods in Physics Research Section B:

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“…The values are very similar to those obtained by other DFT calculations (see Ref. [113]). It is worth mentioning that the binding energy of a He atom to a vacancy, i.e., a He atom trapped inside a vacancy, is 4.67 eV, which is a very high value.…”

Section: Helium In Tungstensupporting

confidence: 90%

“…Becquart et al [113] obtained a very good agreement between their OKMC calculations and the experimental results of He desorption carried out by Sotan et al [112].…”

Section: Helium In Tungstenmentioning

confidence: 57%

Object kinetic Monte Carlo simulations of irradiated tungsten for nuclear fusion reactors

Alberdi¹

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“…The same reasoning is applied to the dissociation events, and efforts are then concentrated on the binding energies. The parameterization can be done with the help of ab-initio calculations [272,273] for small object sizes, with MD for larger cluster sizes or the help of well-defined experiments such as isochronal annealing experiments following simple irradiations such as He implantation desorption [274] or electron irradiation. [275] At the moment, the coarse-grained KMC methods have been mostly used to investigate the annealing of the primary damage, as in References 276 or 24, or the effect of temperature change in the damage accumulation, [277] Fig.…”

Section: Kmc and Mfrt: Evolution Of The Primary Damagementioning

confidence: 99%

“…[281] They were used also to model as well as re-examine simple experiments such as He desorption in W [272] or in Fe [273] as well as the influence of C in isochronal annealing experiments. Figure 6 represents the evolution of the total number of defects in an OKMC simulation of below threshold energy He implantation in W performed by Soltan et al [274] The OKMC simulation, as the experiments, consists of two parts: the implantation sequence followed by isochronal annealing.…”

Section: Kmc and Mfrt: Evolution Of The Primary Damagementioning

confidence: 99%

Modeling Microstructure and Irradiation Effects

Becquart

Domain

2010

Metall Mater Trans A

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This article gives an overview of the strategy followed nowadays to model the evolution of metallic alloy microstructures under irradiation. For this purpose, multiscale approaches are very often used, which rely on modeling techniques appropriate to each time and space scale. The main methods used are ab-initio calculations, classical molecular dynamics (MD), kinetic Monte Carlo (KMC), mean field rate theory (MFRT), and dislocation dynamics (DD). These methods are briefly presented along with some of their typical uses and main drawbacks. Some examples are provided of the typical information obtained with each of the techniques.

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An object Kinetic Monte Carlo Simulation of the dynamics of helium and point defects in tungsten

Cited by 172 publications

References 30 publications

Effect of ion flux on helium retention in helium-irradiated tungsten

Effect of ion flux on helium retention in helium-irradiated tungsten

Object kinetic Monte Carlo simulations of irradiated tungsten for nuclear fusion reactors

Modeling Microstructure and Irradiation Effects

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