Interaction between 1/2<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" altimg="si12.svg" display="inline" id="d1e958"><mml:mo>&lt;</mml:mo></mml:math>110<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" altimg="si13.svg" display="inline" id="d1e963"><mml:mo>&gt;</mml:mo></mml:math>{001} dislocations and {110} prismatic loops in uranium dioxide: Implications for strain-hardening under irradiation

Borde, Marion; Dupuy, L.; Pivano, Adrien; Michel, Bruno; Rodney, David; Amodeo, Jonathan

doi:10.1016/j.ijplas.2023.103702

Cited by 11 publications

(1 citation statement)

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“…Because DD simulation is a mesoscale tool, many input data, coming from atomic scale simulations, are required to capture the complex dislocation interaction processes. There are only few attempts in the literature of such an approach [59,[66][67][68][69][70][71]. The objective of the present study is precisely to find the minimum set of parameters required by the DD model through appropriate atomic simulations and careful comparisons with MD simulations of dislocationloop interactions [55].…”

Section: Introductionmentioning

confidence: 99%

Atomistically informed dislocation dynamics simulations: application to dislocation-loop interactions in zirconium

Dupuy,

Kassem,

Clouet

et al. 2024

Modelling Simul. Mater. Sci. Eng.

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Neutron irradiation of zirconium alloys leads to the formation of highdensities of small dislocation loops. Their interactions with gliding dislocations areresponsible for hardening and early necking of the material. Multi-scale numericalsimulations of the interactions between dislocations and loops are undertaken to predictthe mechanical properties evolution of these materials due to irradiation. Moleculardynamics simulations are first performed to assess the critical ingredients needed fordislocation dynamics simulations. Appropriate models and associated coefficients arethen introduced in dislocation dynamics simulations in order to reliably reproducethe dislocation line energy, the cross-slip process from basal to prismatic planes andthe mobility of straight and jogged dislocations. Based on this parametrization,interactions between dislocation and loops are finally computed with the two numericalmethods. Careful comparisons between the two types of simulation show qualitativeand quantitative agreement, opening the path to investigations of irradiation effects atthe grain scale through large scale dislocation dynamics simulations.

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