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Call for Papers: Interface Modeling and Simulation in Polycrystalline Materials

Advanced Modeling and Simulation in Engineering Sciences welcomes submissions to the special issue on 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.

Hence, the following issues are of particular interest in this developing field:

  • Numerical simulations from “advanced continuous modeling”: non-local crystal plasticity, gradient plasticity, continuum simulations accounting for dislocation/grain boundary microstructure, Phase Field simulations, Mechanics of Dislocation/Disclination fields
  • Numerical simulations from “advanced discrete modeling”: Discrete Dislocation Dynamics, Atomistic simulations, and mixed continuous-discrete methods,
  • Comparisons between simulations and experimental observations,
  • Microstructure modeling through image analysis,
  • Algorithms and numerical methods for multiscale models (EF, FFT, Finite volumes, Finite differences, etc.).

Submission Instructions
Before submitting your manuscript, please ensure you have carefully read the submission guidelines for Advanced Modeling and Simulation in Engineering Sciences. The complete manuscript should be submitted through the Advanced Modeling and Simulation in Engineering Sciences submission system. All submissions will undergo rigorous peer review and accepted articles will be published within the journal as a collection.

Lead Guest Editor
Claude Fressengeas, Laboratoire d'Étude des Microstructures et de Mécanique des Matériaux (LEM3), France

Guest Editors

Stéphane Berbenni, Laboratoire d'Étude des Microstructures et de Mécanique des Matériaux (LEM3), France

Ricardo Lebensohn, Los Alamos National Laboratory, USA

Open Access Publication
Submissions will also benefit from the usual advantages of open access publication:

  • Rapid publication: Online submission, electronic peer review and production make the process of publishing your article simple and efficient
  • High visibility and international readership in your field: Open access publication ensures high visibility and maximum exposure for your work - anyone with online access can read your article
  • No space constraints: Publishing online means unlimited space for figures, extensive data and video footage
  • Authors retain copyright, licensing the article under a Creative Commons license: articles can be freely redistributed and reused as long as the article is correctly attributed.

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