Phase-field simulation of irradiated metals

Millett, Paul C.; El–Azab, Anter; Rokkam, Srujan; Tonks, Michael; Wolf, D.

doi:10.1016/j.commatsci.2010.10.034

Cited by 97 publications

(56 citation statements)

References 26 publications

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“…In this case, the concentration of vacancies is high, which has been shown to have a non-negligible effect on the open system constants. Recent work in this area by [14], based on phase-field techniques, neglected the effects of stress so that no effect of applied load could be accounted for on void growth. If omitted, stress gradients are unable to affect the vacancy fluxes responsible for altering the shape of the void and their kinetics.…”

Section: Discussionmentioning

confidence: 99%

A fully coupled diffusional-mechanical formulation: numerical implementation, analytical validation, and effects of plasticity on equilibrium

et al. 2014

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A macroscopic coupled stress-diffusion theory which accounts for the effects of nonlinear material behaviour, based on the framework proposed by Cahn and Larché, is presented and implemented numerically into the finite element method. The numerical implementation is validated against analytical solutions for different boundary valued problems. Particular attention is payed to the open system elastic constants, i.e. those derived at constant diffusion potential, since they enable, under circumstances, the equilibrium composition field for any generic chemical-mechanical coupled problem to be obtained through the solution of an equivalent elastic problem. Finally, the effects of plasticity on the overall equilibrium state of the coupled problem solution are discussed.

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Section: Discussionmentioning

confidence: 99%

A fully coupled diffusional-mechanical formulation: numerical implementation, analytical validation, and effects of plasticity on equilibrium

et al. 2014

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“…In a later work, Millett et al 66 improved the model by including the evolution of SIAs. The SIA concentration was represented by c 2 (x,t) = c i (x,t).…”

Section: Simulations Of Different Phenomena In Radiation-induced Micrmentioning

confidence: 99%

“…[63][64][65][66][67][68][69][70][71][72][73] Vacancy concentration c 1 (x,t) = c v (x,t) and order parameter η(x,t) were used to describe a system containing voids and the matrix. The chemical free energy in the form of Model 3 was employed to simulate void nucleation and growth in both single-crystal 63 and polycrystalline metals.…”

Section: Simulations Of Different Phenomena In Radiation-induced Micrmentioning

confidence: 99%

“…56 Millett et al 58 simulated the evolution of gas bubbles in a polycrystal using the PF method and Model 3 was used to describe the chemical free energy. Their model considered the co-evolution of gas bubbles and grains so captured the dynamic interaction between intragranular gas bubble and grain growth.…”

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

122

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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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