An object-oriented finite element framework for multiphysics phase field simulations

Tonks, Michael; Gaston, Derek; Millett, Paul C.; Andrš, David; Talbot, Paul

doi:10.1016/j.commatsci.2011.07.028

Cited by 264 publications

(160 citation statements)

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“…In the simulations, the third-order Hermite element is used. Note that more information about solving the PF equations using the MARMOT framework can be found in the articles by Tonks et al [68].…”

Section: Description Of the Modelmentioning

confidence: 99%

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Mesoscale Benchmark Demonstration Problem 1: Mesoscale Simulations of Intra-granular Fission Gas Bubbles in UO2 under Post-irradiation Thermal Annealing

Li¹,

Hu²,

Montgomery³

et al. 2012

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SUMMARYA study was conducted to evaluate the capabilities of different numerical methods used to represent microstructure behavior at the mesoscale for irradiated material using an idealized benchmark problem. The purpose of the mesoscale benchmark problem was to provide a common basis for assessing several mesoscale methods to identify the strengths and areas of improvement in the predictive modeling of microstructure evolution. In this work, mesoscale models (phase-field, Potts, and kinetic Monte Carlo) developed by Pacific Northwest National Laboratory, Idaho National Laboratory, Sandia National Laboratory, and Oak Ridge National Laboratory were used to calculate the evolution kinetics of intragranular fission gas bubbles in UO 2 fuel under post-irradiation thermal annealing conditions. The benchmark problem was constructed to include important microstructural evolution kinetics of intragranular fission gas bubble behavior, such as the atomic diffusion of Xe atoms, U vacancies, and O vacancies; the effect of vacancy capture and emission from defects; and the elastic interaction on nonequilibrium gas bubbles. An idealized set of assumptions and a common set of thermodynamic and kinetic data were imposed on the benchmark problem to simplify the mechanisms considered. The modeling capabilities of different methods are compared against selected experimental and simulation results. These comparisons find that while the phase-field methods and Potts kinetic Monte Carlo methods are able to incorporate several of the mechanisms that influence intra-granular bubble growth and coarsening, the Potts model is challenged by the low solubility and long-range diffusion necessary to simulate this problem correctly. The statistical-mechanical nature of Potts kMC requires large ensembles with long simulation times to treat this problem. Future efforts are recommended to construct increasingly more complex mesoscale benchmark problems to further verify and validate the predictive capabilities of the mesoscale modeling methods used in this study.

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Section: Description Of the Modelmentioning

confidence: 99%

“…Therefore we employed time step adaptivity as well. Both the mesh and time step adaptivity are described in more detail by Tonks et al [68].…”

Section: Evaluation Of the Effectiveness Of Mesh And Time Step Adaptimentioning

confidence: 99%

Mesoscale Benchmark Demonstration Problem 1: Mesoscale Simulations of Intra-granular Fission Gas Bubbles in UO2 under Post-irradiation Thermal Annealing

Li¹,

Hu²,

Montgomery³

et al. 2012

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show abstract

“…Although numerical methods for the PFC equation have been investigated in a number of publications, e.g., [5], [14], [17], [26], [28], works dedicated to parallel algorithms are not yet to be seen. There are some successful studies on scalable parallel algorithms for some other phase-field problems such as the Cahn-Hilliard equation [29], [31] and the coupled Allen-Cahn/Cahn-Hilliard equations [24], [27], [30]. However, it is not clear if those algorithms can be applied to the PFC equation, because the PFC equation, compared to other phase-field models, contains solutions that are highly oscillatory due to the sixthorder differential term in the PDE.…”

Section: Introductionmentioning

confidence: 99%

A Scalable Implicit Solver for Phase Field Crystal Simulations

Yang

Cai

2013

2013 IEEE International Symposium on Parallel &Amp; Distributed Processing, Workshops and PHD Forum

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Abstract-The phase field crystal equation has become a popular model for simulating micro-structures in materials science but is very computationally expensive to solve. A highly scalable solver for phase field crystal modeling is presented in this paper. The equation is discretized with a stabilized implicit finite difference method and the time step size is adaptively controlled to obtain physically meaningful solutions. The nonlinear system arising at each time step is solved by using a parallel Newton-Krylov-Schwarz algorithm. In order to achieve good performance, low-order homogeneous boundary conditions are imposed on subdomain interfaces in the Schwarz preconditioner. Experiments are carried out to exploit optimal choices of the preconditioner type, the subdomain solver and the overlap size. Numerical results are provided to show that the solver is scalable to thousands of processor cores.

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“…Many of the features of the Trac site, including issue tracking, wikis, and other forms of community documentation have already been transferred to native services within GitHub and the new public MOOSE framework website 7 . We plan to publish a more detailed paper describing these and other innovations in the near future.…”

Section: Future Workmentioning

confidence: 99%

“…This process, and the streamlined object-oriented interface of MOOSE itself, have contributed to the ease with which MOOSE-based applications can be developed. Example applications include: BISON [6] (nuclear fuel modeling), MARMOT [7] (microstructural evolution of nuclear fuel), RAT [8] (chemical reactive transport in porous media), MAMBA [9] (microstructural effects of deposition on nuclear fuel rods), and HYRAX [10] (ZrH precipitation in nuclear fuel cladding).…”

Section: Introductionmentioning

confidence: 99%

Continuous Integration for Concurrent Computational Framework and Application Development

Gaston

Peterson

Permann

et al. 2014

Journal of Open Research Software

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An object-oriented finite element framework for multiphysics phase field simulations

Cited by 264 publications

References 23 publications

Mesoscale Benchmark Demonstration Problem 1: Mesoscale Simulations of Intra-granular Fission Gas Bubbles in UO2 under Post-irradiation Thermal Annealing

Mesoscale Benchmark Demonstration Problem 1: Mesoscale Simulations of Intra-granular Fission Gas Bubbles in UO2 under Post-irradiation Thermal Annealing

A Scalable Implicit Solver for Phase Field Crystal Simulations

Continuous Integration for Concurrent Computational Framework and Application Development

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