Phase-field modeling with the TAF-ID of incipient melting and oxygen transport in nuclear fuel during power transients

Introini, Carolina; Sercombe, J.; Ramière, Isabelle; Tellier, R. Le

doi:10.1016/j.jnucmat.2021.153173

Cited by 9 publications

(4 citation statements)

References 53 publications

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“…( 26) and h(φ) in Eq. (28). Indeed, the matched asymptotic expansions show that q(φ) and h(φ) are involved in several pairs of integrals.…”

Section: D(φ)mentioning

confidence: 93%

“…A method for coupling a phase-field model based on the grand-potential with a thermodynamic database is proposed in [27]. A coupling of a phase-field model with the "thermodynamics advanced fuel international database" is presented in [28] with OpenCalphad [29,30]. In this work, we assume in Section 2.3 that the densities of free energies f s (c) and f l (c) are quadratic.…”

Section: General Equations On φ and µ In Grand-potential Theoretical ...mentioning

confidence: 99%

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Grand-potential-based phase-field model of dissolution/precipitation: lattice Boltzmann simulations of counter term effect on porous medium

Boutin¹,

Verdier²,

Cartalade³

2021

Preprint

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Most of the lattice Boltzmann methods simulate an approximation of the sharp interface problem of dissolution and precipitation. In such studies the curvature-driven motion of interface is neglected in the Gibbs-Thomson condition. In order to simulate those phenomena with or without curvature-driven motion, we propose a phase-field model which is derived from a thermodynamic functional of grand-potential. Compared to the well-known free energy, the main advantage of the grand-potential is to provide a theoretical framework which is consistent with the equilibrium properties such as the equality of chemical potentials. The model is composed of one equation for the phase-field φ coupled with one equation for the chemical potential µ. In the phase-field method, the curvature-driven motion is always contained in the phase-field equation. For canceling it, a counter term must be added in the φ-equation. For reason of mass conservation, the µ-equation is written with a mixed formulation which involves the composition c and the chemical potential. The closure relationship between c and µ is derived by assuming quadratic free energies of bulk phases. The anti-trapping current is also considered in the composition equation for simulations with null diffusion in solid. The lattice Boltzmann schemes are implemented in LBM_saclay, a numerical code running on various High Performance Computing architectures. Validations are carried out with several analytical solutions representative of dissolution and precipitation. Simulations with or without counter term are compared on the shape of porous medium characterized by microtomography. The computations have run on a single GPU-V100.

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“…( 26) and h(φ) in Eq. (28). Indeed, the matched asymptotic expansions show that q(φ) and h(φ) are involved in several pairs of integrals.…”

Section: D(φ)mentioning

confidence: 93%

Section: General Equations On φ and µ In Grand-potential Theoretical ...mentioning

confidence: 99%

Grand-potential-based phase-field model of dissolution/precipitation: lattice Boltzmann simulations of counter term effect on porous medium

Boutin¹,

Verdier²,

Cartalade³

2021

Preprint

View full text Add to dashboard Cite

show abstract

“…The degradation of porous reactive materials is a prime example in which mechanical and chemical evolutions are coupled and exert a feedback on each other, often through the appearance or sealing of cracks. As examples, we can cite the chemical induction of fractures within lithium batteries 9 , the durability of geomaterials in the reservoir context 10,11 , or concrete 8,12,13 , melting of nuclear pellets 14 or the corrosion and hydrogen transport in steel 15 . On a larger scale, we can cite the durability of injection wells for gas reservoirs 16 or concrete dams 17,18 , the induced seismicity associated with various applications [19][20][21][22] .…”

Section: Introductionmentioning

confidence: 99%

A coupled hydro-chemo-mechanical approach to model the degradation and appearance of cracks in cementitious materials subject to carbonation

Seigneur

Socié

Bary

et al. 2023

Preprint

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Coupled Thermal-Hydraulic-Mechanical-Chemical (THMC) approaches are crucial for assessing the durability of cementitious materials. We present a novel approach to overcome past limitations of THMC modelling and validate it based on experimental results of accelerated carbonation tests. Our numerical approach rests on a sequential coupling between Hytec and Cast3M. Hytec computes the evolution of hydraulic and mineralogical fields allowing to compute the micromechanical properties (e.g. Young modulus). The mineral reactions generate tensile stresses and Cast3M computes the associated strain tensors and the damage evolution represented by the opening or sealing of cracks, impacting subsequent reactive transport processes. Our approach manages to reproduce the crack patterns and non-uniform degradation depths observed on microtomographic images of carbonated cement samples, which can only be explained by the coupled dynamics of chemical and mechanical processes. Our approach can be extended to a wide range of cement-concrete pathologies and contexts.

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Section: Introductionmentioning

confidence: 99%

A fully coupled Hydraulic Mechanical Chemical approach applied to cementitious material damage due to carbonation

et al. 2023

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Coupled Thermal-Hydraulic-Mechanical-Chemical (THMC) approaches may be important for assessing the long-term durability of cementitious materials. We present a multiphysics approach to overcome past limitations of THMC modelling and validate it based on experimental results of accelerated carbonation tests. Our numerical approach rests on a sequential coupling between Hytec and Cast3m. Hytec computes the evolution of hydraulic and mineralogical fields allowing to compute the micromechanical properties (e.g. Young’s modulus). The mineral reactions generate tensile stresses and Cast3M computes the associated strain tensors and the damage evolution represented by the opening or sealing of cracks, impacting subsequent reactive transport processes. Our approach manages to qualitatively represent the crack patterns and non-uniform degradation depths observed on microtomographic images of carbonated cement samples, which can only be explained by the coupled dynamics of chemical and mechanical processes. Our approach can be extended to a wide range of cement-concrete pathologies and contexts.

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Phase-field modeling with the TAF-ID of incipient melting and oxygen transport in nuclear fuel during power transients

Cited by 9 publications

References 53 publications

Grand-potential-based phase-field model of dissolution/precipitation: lattice Boltzmann simulations of counter term effect on porous medium

Grand-potential-based phase-field model of dissolution/precipitation: lattice Boltzmann simulations of counter term effect on porous medium

A coupled hydro-chemo-mechanical approach to model the degradation and appearance of cracks in cementitious materials subject to carbonation

A fully coupled Hydraulic Mechanical Chemical approach applied to cementitious material damage due to carbonation

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