Formation mechanism of gas bubble superlattice in UMo metal fuels: Phase-field modeling investigation

“…62 The model took into account the spatial-dependent generation of defects, radiationinduced dissolution, elastic interaction, and one dimensional migration of interstitials and was used to examine the mechanism of Xe gas bubble superlattice formation in irradiated UMo metallic fuels. The simulation showed that the fast one dimensional migration of SIAs along <110> directions was the dominant mechanism for the fcc Xe gas bubble superlattice formation in bcc UMo fuels.…”

Section: Simulations Of Different Phenomena In Radiation-induced Micrmentioning

confidence: 99%

“…The PF method was applied to simulate void and gas bubble lattice formation. 62,74,125 The work of Yu and Lu 125 aimed to examine that the elastic interaction causes the void lattice formation. In the model, vacancy concentration was chosen as the PF variable, i.e., c 1 (x,t) = c v (x,t).…”

Section: Simulations Of Different Phenomena In Radiation-induced Micrmentioning

confidence: 99%

“…Applications of the PF method in predicting microstructure evolution in solidification and solid state phase transition have been reviewed in several articles. [46][47][48][49][50][51][52][53] During the past decade, the PF approach has been applied to study microstructure evolutions in irradiated nuclear materials such as gas bubble evolution in nuclear fuels, [54][55][56][57][58][59][60][61][62] void formation and evolution, [63][64][65][66][67][68][69][70][71][72][73] void and gas bubble lattice formation, 62,74 void migration under temperature gradient, [75][76][77] SIA loop growth kinetics, [78][79][80] precipitation, [81][82][83][84][85][86][87][88][89][90] grain growth and recrystallization. [91]…”

Section: Introductionmentioning

confidence: 99%

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A review: applications of the phase field method in predicting microstructure and property evolution of irradiated nuclear materials

Sun

et al. 2017

npj Comput Mater

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127

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Complex microstructure changes occur in nuclear fuel and structural materials due to the extreme environments of intense irradiation and high temperature. This paper evaluates the role of the phase field method in predicting the microstructure evolution of irradiated nuclear materials and the impact on their mechanical, thermal, and magnetic properties. The paper starts with an overview of the important physical mechanisms of defect evolution and the significant gaps in simulating microstructure evolution in irradiated nuclear materials. Then, the phase field method is introduced as a powerful and predictive tool and its applications to microstructure and property evolution in irradiated nuclear materials are reviewed. The review shows that (1) Phase field models can correctly describe important phenomena such as spatial-dependent generation, migration, and recombination of defects, radiation-induced dissolution, the Soret effect, strong interfacial energy anisotropy, and elastic interaction; (2) The phase field method can qualitatively and quantitatively simulate two-dimensional and three-dimensional microstructure evolution, including radiation-induced segregation, second phase nucleation, void migration, void and gas bubble superlattice formation, interstitial loop evolution, hydrate formation, and grain growth, and (3) The Phase field method correctly predicts the relationships between microstructures and properties. The final section is dedicated to a discussion of the strengths and limitations of the phase field method, as applied to irradiation effects in nuclear materials. npj Computational Materials (2017) 3:16 ; doi:10.1038/s41524-017-0018-y INTRODUCTIONHigh energy particle (such as neutron, ion, and electron) radiation can create major changes in the shape and thermo-mechanical properties of nuclear fuels and structural components of nuclear reactors. These changes are caused by radiation-induced evolution of compositions and microstructures. The main effects of radiation on reactor materials are: (1) dimensional change associated with gas bubble swelling, void swelling, grain growth, and creep; 1-5 (2) loss of ductility and increase in ductile-brittle transition temperature (DBTT) due to the formation of secondphase precipitates, self-interstitial atomic (SIA) loops, and dislocation networks; 6, 7 (3) oxidation and corrosion accelerated by high temperature, fission products, and radiation damage; 8-10 and (4) local and bulk changes in chemical composition, including irradiation-enhanced segregation of alloy components and phase separation.11-17 Figure 1 shows typical microstructures observed in irradiated materials.9, 18-21 The radiation-induced heterogeneity of the microstructures depends on the initial phase and defect structure of the fresh (non-irradiated) materials and on the type and severity of the radiation environment. Fundamental understanding of heterogeneous three-dimensional microstructure evolution is crucial to the development of advanced radiation tolerant materials that can significa...

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“…However, with the integration of realistic energetics (e.g., CALPHAD-based free energies [7]), phase field models are now being crafted to quantitatively describe real materials. They have been applied to study a range of phenomena, such as the "rhenium effect" in nickel-based superalloys [8] and the formation of gas bubble superlattices in uranium-molybdenum nuclear fuel [9]. For comprehensive descriptions and reviews of phase field modeling, see Refs.…”

Section: Introductionmentioning

confidence: 99%

Phase field benchmark problems for dendritic growth and linear elasticity

Jokisaari

Voorhees

Guyer

et al. 2018

Computational Materials Science

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We present the second set of benchmark problems for phase field models that are being jointly developed by the Center for Hierarchical Materials Design (CHiMaD) and the National Institute of Standards and Technology (NIST) along with input from other members in the phase field community. As the integrated computational materials engineering (ICME) approach to materials design has gained traction, there is an increasing need for quantitative phase field results. New algorithms and numerical implementations increase computational capabilities, necessitating standard problems to evaluate their impact on simulated microstructure evolution as well as their computational performance. We propose one benchmark problem for solidification and dendritic growth in a single-component system, and one problem for linear elasticity via the shape evolution of an elastically constrained precipitate. We demonstrate the utility and sensitivity of the benchmark problems by comparing the results of 1) dendritic growth simulations performed with different time integrators and 2) elastically constrained precipitate simulations with different precipitate sizes, initial conditions, and elastic moduli. These numerical benchmark problems will provide a consistent basis for evaluating different algorithms, both existing and those to be developed in the future, for accuracy and computational efficiency when applied to simulate physics often incorporated in phase field models.

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Formation mechanism of gas bubble superlattice in UMo metal fuels: Phase-field modeling investigation

Cited by 67 publications

References 79 publications

Effects of porous fuel structure on the irradiation-induced thermo-mechanical coupling behavior in monolithic fuel plates

Effects of porous fuel structure on the irradiation-induced thermo-mechanical coupling behavior in monolithic fuel plates

A review: applications of the phase field method in predicting microstructure and property evolution of irradiated nuclear materials

Phase field benchmark problems for dendritic growth and linear elasticity

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