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Interface Modeling and Simulation in Polycrystalline Materials

Modeling and numerical simulation of interfaces in polycrystalline materials (i.e. grain boundaries, sub-grain boundaries, twin boundaries), or interphases in materials subjected to phase transformation, is a primary topic in predicting/optimizing the mechanical response to complex thermomechanical loading, either when the ratio of interface area vs. sample volume becomes very large, as in nanostructured materials (metals, ceramics, etc.), or when dislocation-mediated plasticity is hampered by a lack of independent slip systems, as in certain geophysical materials (ice, olivine, etc.). In such conditions, interface-mediated plasticity may indeed become a prevalent deformation mechanism.

Interface modeling is naturally spanning length scales: when envisioned at macroscopic scale in polycrystalline simulations, interfaces are often seen as infinitely thin surfaces in large samples of engineering size, whereas they appear as finite layers between grains in fine scale models where their internal microstructure is described. Fortunately, recent progress in computing power, numerical methods and experimental techniques allow access to both local information in the material and accurate interface modeling at various resolution length scales. Nanoscopic/microscopic scale models include approaches such as Ab Initio calculations, Molecular Dynamics, Discrete Dislocation Dynamics, Continuous Dislocation/Disclination Dynamics and Phase Field approaches, and scale transitions with continuum mechanics models of crystal plasticity are badly needed.

Edited by: Claude Fressengeas, Stéphane Berbenni, and Ricardo Lebensohn

  1. A linear visco-elasticity ansatz for the multiphase-field method is introduced in the form of a Maxwell-Wiechert model. The implementation follows the idea of solving the mechanical jump conditions in the diff...

    Authors: Felix K. Schwab, Andreas Reiter, Christoph Herrmann, Daniel Schneider and Britta Nestler

    Citation: Advanced Modeling and Simulation in Engineering Sciences 2020 7:47

    Content type: Research article

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  2. Using a continuous representation of dislocations in elastoplastic polycrystals, we investigate slip transfer at grain boundaries by assessing the compatibility of the slip system shear rates with tangential c...

    Authors: Claude Fressengeas and Manas V. Upadhyay

    Citation: Advanced Modeling and Simulation in Engineering Sciences 2020 7:12

    Content type: Research article

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  3. Formulating appropriate simulation models that capture the microstructure evolution at the mesoscale in metals undergoing thermomechanical treatments is a formidable task. In this work, an approach combining h...

    Authors: Anna Ask, Samuel Forest, Benoît Appolaire and Kais Ammar

    Citation: Advanced Modeling and Simulation in Engineering Sciences 2020 7:9

    Content type: Research article

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  4. This paper presents an application to metal matrix composites (MMCs) of an enhanced elasto-viscoplastic Fast Fourier Transform (EVP-FFT) formulation coupled with a phenomenological continuum Mesoscale Field Di...

    Authors: J. Genée, S. Berbenni, N. Gey, R. A. Lebensohn and F. Bonnet

    Citation: Advanced Modeling and Simulation in Engineering Sciences 2020 7:6

    Content type: Research article

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  5. By using a generalized, spatially resolved rate theory, we systematically studied the irradiation-induced diffusion and segregation of point defects near triple junctions. Our model captured not only the forma...

    Authors: Patrick Zarnas, Rémi Dingreville, Brittany Muntifering, Khalid Hattar, Brad L. Boyce and Jianmin Qu

    Citation: Advanced Modeling and Simulation in Engineering Sciences 2020 7:5

    Content type: Research article

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  6. A novel thermo-elastoplastic self-consistent homogenization model for granular materials that exhibit inter-granular plasticity is presented. The model, TEPSCA, is made possible by identifying a new inter-gran...

    Authors: Kane C. Bennett, Miroslav Zecevic, Darby J. Luscher and Ricardo A. Lebensohn

    Citation: Advanced Modeling and Simulation in Engineering Sciences 2020 7:3

    Content type: Research article

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