Modeling microstructural evolution in irradiated materials with cluster dynamics methods: A review

Kohnert, Aaron A.; Wirth, Brian D.; Capolungo, Laurent

doi:10.1016/j.commatsci.2018.02.049

Cited by 70 publications

(26 citation statements)

References 111 publications

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“…The CD model, based on the SPICES code 27 , employs an intricate network of interconnected differential equations for each allowed cluster size. For a given species j , the concentration is governed by where is a sum of all possible aggregation events, and dissociation events, which create or consume a species j , where k ’s are unique rate constants encapsulating the kinetics of each reaction.…”

Section: Methodsmentioning

confidence: 99%

“…For example, energetic damage cascades may produce cavity embryos directly from the primary damage 24 , or impurities may act to increase the capture efficiency of cavities 17,25 . As well, the dislocation network from the normalization and tempering of T91 and dislocation loops from irradiation cause local stress fields that may modify adjacent point defects concentrations 26,27 . No microstructure model has been able to, or likely can, capture every aspect of microstructural evolution and perform calculations on a reasonable timescale.…”

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confidence: 99%

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Predicting structural material degradation in advanced nuclear reactors with ion irradiation

Taller

VanCoevering

Wirth

et al. 2021

Sci Rep

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Swelling associated with the formation and growth of cavities is among the most damaging of radiation-induced degradation modes for structural materials in advanced nuclear reactor concepts. Ion irradiation has emerged as the only practical option to rapidly assess swelling in candidate materials. For decades, researchers have tried to simulate the harsh environment in a nuclear reactor in the laboratory at an accelerated rate. Here we present the first case in which swelling in a candidate alloy irradiated ~ 2 years in a nuclear reactor was replicated using dual ion irradiation in ~ 1 day with precise control over damage rate, helium injection rate, and temperature and utilize physical models to predict the effects of radiation in reactors. The capability to predict and replicate the complex processes surrounding cavity nucleation and growth across many decades of radiation dose rate highlights the potential of accelerated radiation damage experiments. More importantly, it demonstrates the capability to predict the swelling evolution and the possibility to predict other features of the irradiated microstructure evolution that control material property degradation required to accelerate the development of new, radiation-tolerant materials.

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Section: Methodsmentioning

confidence: 99%

mentioning

confidence: 99%

Predicting structural material degradation in advanced nuclear reactors with ion irradiation

Taller

VanCoevering

Wirth

et al. 2021

Sci Rep

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“…In UMo fuels, 235 U fission generates high-energy neutrons and fission fragments that cause radiation damage. A cluster dynamics model (Mansur, 1994;Kohnert and Wirth, 2015;Brimbal et al, 2016;Kohnert et al, 2018) is used to describe the evolution of vacancies, interstitials, and their clusters in polycrystalline structures with distributed gas bubbles. The generation of gas atoms, vacancies, and interstitials are calculated with the fission product yields and the kinetic energy distribution of the fission products.…”

Section: Phase-field Model Of Gas Bubble Evolution In Polycrystalline Umo Under Elastic-plastic Deformationmentioning

confidence: 99%

Gas Bubble Evolution in Polycrystalline UMo Fuels Under Elastic-Plastic Deformation: A Phase-Field Model With Crystal-Plasticity

Beeler

2021

Front. Mater.

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In monolithic UMo fuels, the interaction between the Al cladding and large gas bubble volumetric swelling causes both elastic-plastic and creep deformation. In this work, a phase-field model of gas bubble evolution in polycrystalline UMo under elastic-plastic deformation was developed for studying the dynamic interaction between evolving gas bubble/voids and deformation. A crystal plasticity model, which assumes that the plastic strain rate is proportional to resolved shear stresses of dislocation slip systems on their slip planes, was used to describe plastic deformation in polycrystalline UMo. Xe diffusion and gas bubble evolution are driven by the minimization of chemical and deformation energies in the phase-field model, while evolving gas bubble structure was used to update the mechanical properties in the crystal plasticity model. With the developed model, we simulated the effect of gas bubble structures (different volume fractions and internal gas pressures) on stress-strain curves and the effect of local stresses on gas bubble evolution. The results show that 1) the effective Young’s modulus and yield stress decrease with the increase of gas bubble volume fraction; 2) the hardening coefficient increases with the increase of gas bubble volume fraction, especially for gas bubbles with higher internal pressure; and 3) the pressure dependence of Xe thermodynamic and kinetic properties in addition to the local stress state determine gas bubble growth or shrinkage. The simulated results can serve as a guide to improve material property models for macroscale fuel performance modeling.

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“…Theoretical and computational models characterizing point defects or solutes diffusion and interaction with microstructures are continuously developed [12][13][14][15][16][17][18][19]. However, due to the large number of parameters required to describe defect-defect interactions within a system, even in the case of a single element material such as Fe, most of the existing models typically consider only one type of point defect at a time, limiting studies to a small handful of cluster types.…”

Section: Introductionmentioning

confidence: 99%

Statistical analysis of the interaction between irradiation-induced defects and triple junctions

Zarnas

Dingreville

Muntifering

et al. 2020

Adv. Model. and Simul. in Eng. Sci.

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By using a generalized, spatially resolved rate theory, we systematically studied the irradiation-induced diffusion and segregation of point defects near triple junctions. Our model captured not only the formation, growth, and recombination of point defects but also the interaction of these defects with pre-existing defects. We coupled the stress field of the triple junction with defect diffusion via a modified chemical potential. The residual stress fields of grain boundaries and triple junctions are modeled via disclination mechanics theory. By assessing the behavior of 144 triple junctions with vacancy and interstitial defects, we correlated defect-sink efficiencies with key characteristics of triple junctions. For vacancies, the geometric configuration of triple junctions dominated sink efficiency, suggesting that equiaxed grains would resist the accumulation of vacancies more than elongated grains. For interstitials, the sink density of the grain boundaries composing the triple junctions dominated sink efficiency. Hence, the interstitial concentration may be managed by adjusting the structure of the grain boundaries. Overall, we illustrated the complex coupling between pre-existing defects and radiation-induced defects through interaction of their stress fields. This theoretical framework provides an efficient tool to rapidly assess defect management in microstructures.

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Modeling microstructural evolution in irradiated materials with cluster dynamics methods: A review

Cited by 70 publications

References 111 publications

Predicting structural material degradation in advanced nuclear reactors with ion irradiation

Predicting structural material degradation in advanced nuclear reactors with ion irradiation

Gas Bubble Evolution in Polycrystalline UMo Fuels Under Elastic-Plastic Deformation: A Phase-Field Model With Crystal-Plasticity

Statistical analysis of the interaction between irradiation-induced defects and triple junctions

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