Phase‐Field Methods in Materials Science and Engineering

Provatas, Nikolas; Elder, K. R.

doi:10.1002/9783527631520

Cited by 532 publications

(618 citation statements)

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“…To this end, herein we employ a continuum diffuse-interface (or phase-field) method [16] to model the evolution of the Ni phase within the heterogeneous Ni-YSZ cermet anode. The phase-field method is particularly well suited to this problem due to its ability to naturally treat singular reconfiguration events occurring during the microstructural evolution process, such as the merging and splitting of domains.…”

Section: Introductionmentioning

confidence: 99%

Phase wettability and microstructural evolution in solid oxide fuel cell anode materials

et al. 2014

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Recent experimental and theoretical findings suggest that high-temperature solid oxide fuel cells (SOFCs) often suffer from performance degradation due to coarsening of the metallic-phase particles within the anode. In this study, we explore the feasibility of improving the microstructural stability of SOFC anode materials by tuning the contact angle between the metallic phase and electrolyte particles. To this end, a continuum diffuse-interface model is employed to capture the coarsening behavior of the metallic phase and simulate a range of equilibrium contact angles. The evolution of performance-critical, microstructural features is presented for varying degrees of phase wettability. It is found that both the density of electrochemically active triple-phase regions and contiguity of the electron-conducting phase display undesirable minima near the contact angle of conventional SOFC materials. Our results suggest that tailoring the interfacial properties of the constituent phases could lead to a significant increase in the performance and lifetime of SOFCs.

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Section: Introductionmentioning

confidence: 99%

Phase wettability and microstructural evolution in solid oxide fuel cell anode materials

et al. 2014

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“…The two canonical phase-field theories are the Allen-Cahn equation and the Cahn-Hilliard equation (Emmerich., 2003;Provatas and Elder, 2010). They both emanate from the Ginzburg-Landau energy functional in Eq.…”

Section: Allen-cahn and Cahn-hilliardmentioning

confidence: 99%

“…The phase-field method (Emmerich., 2003;Provatas and Elder, 2010;Chen, 2002;Anderson et al, 1998) may be understood as a mathematical theory to reformulate moving boundary problems as PDEs which hold on a known and fixed computational domain. The usual way to achieve this is to introduce a new field, namely, the phase field, which is defined on the entire domain and is a marker of the location of the different phases 1 .…”

Section: Phase-field Modeling In Computational Mechanicsmentioning

confidence: 99%

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Computational Phase‐Field Modeling

Gómez

Zee

2017

Encyclopedia of Computational Mechanics Second Edition

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Phase-field modeling is emerging as a promising tool for the treatment of problems with interfaces. The classical description of interface problems requires the numerical solution of partial differential equations on moving domains in which the domain motions are also unknowns. The computational treatment of these problems requires moving meshes and is very difficult when the moving domains undergo topological changes. Phase-field modeling may be understood as a methodology to reformulate interface problems as equations posed on fixed domains. In some cases, the phase-field model may be shown to converge to the moving-boundary problem as a regularization parameter tends to zero, which shows the mathematical soundness of the approach. However, this is only part of the story because phase-field models do not need to have a moving-boundary problem associated and can be rigorously derived from classical thermomechanics. In this context, the distinguishing feature is that constitutive models depend on the variational derivative of the free energy. In all, phase-field models open the opportunity for the efficient treatment of outstanding problems in computational mechanics, such as, the interaction of a large number of cracks in three dimensions, cavitation, film and nucleate boiling, tumor growth or fully three-dimensional air-water flows with surface tension. In addition, phase-field models bring a new set of challenges for numerical discretization that will excite the computational mechanics community.

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“…In the present paper, numerical calculations based on the Phase Field Crystal (PFC) model are presented which may lead to the solution of many practically important problems in metallurgical industry [14]. The determination of the conditions of the technological process for metal castings with predetermined properties, prediction of crystal structure defects during casting, evaluation of the quality of special coatings, and many others are among them can be start to solve beginning from micro-level analysis using PFC-method [14,15].…”

Section: Introductionmentioning

confidence: 99%

Simulation of crystalline pattern formation by the MPFC method

2017

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Abstract.The Phase Field Crystal model in hyperbolic formulation (modified PFC or MPFC), is investigated as one of the most promising techniques for modeling the formation of crystal patterns. MPFC is a convenient and fundamentally based description linking nano-and meso-scale processes in the evolution of crystal structures. The presented model is a powerful tool for mathematical modeling of the various operations in manufacturing. Among them is the definition of process conditions for the production of metal castings with predetermined properties, the prediction of defects in the crystal structure during casting, the evaluation of quality of special coatings, and others. Our paper presents the structure diagram which was calculated for the one-mode MPFC model and compared to the results of numerical simulation for the fast phase transitions. The diagram is verified by the numerical simulation and also strongly correlates to the previously calculated diagrams. The computations have been performed using software based on the effective parallel computational algorithm.

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Phase‐Field Methods in Materials Science and Engineering

Cited by 532 publications

References 0 publications

Phase wettability and microstructural evolution in solid oxide fuel cell anode materials

Phase wettability and microstructural evolution in solid oxide fuel cell anode materials

Computational Phase‐Field Modeling

Simulation of crystalline pattern formation by the MPFC method

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