Collection

Multiscale Materials Modeling of Interface-mediated Thermomechanical Behavior

Advanced materials are usually comprised with a high density of interfaces such as grain boundaries (GBs), or phase boundaries (PBs). When exposed to extreme environments (stress, temperature, irradiation, corrosive), the performance of these materials can be largely dictated by dislocation-/twinning-mediated plastic flow, phase transformation (PT), phonon transport, and their reactions with the GBs or PBs. However, to date, a clear understanding on how such reactions control the materials’ microstructure evolution and, in turn, their overall performance, is still lacking. It remains challenging to use single-scale techniques to simultaneously resolve the dislocation, twinning, PT, and phonon activation at the atomic scale together with the subsequent interface structure changes (fracture or damage) at the mesoscopic level. To meet this challenge, this Focus Issue provides a forum for discussing recent developments in computational/experimental techniques and their applications to understand the heterogeneous materials’ mechanical and transport behavior across a broad range of length scales. The knowledge gained may be used to support the development of new materials with desired strength, ductility, toughness, thermal-/corrosion-/irradiation-resistance, and even a combination of these resistances. Contributing papers are solicited in the following areas: • Atomic/meso/macro/multi-scale material modeling theories, methodologies, and algorithms • Atomic/meso/macro/multi-scale experimental techniques for microstructure characterization Computer simulations of dislocations, twinning, PT, phonons, and their interactions with interfaces • Experimental analysis of plasticity, thermal transport, facture, and damage in heterogeneous materials

Editors

  • Liming Xiong

    Assistant Professor at Iowa State University, USA

  • Youping Chen

    Associate Professor at University of Florida, USA

  • Irene Beyerlein

    Professor at University of California, Santa Barbara, USA

  • David McDowell

    Carter N. Paden Jr. Distinguished Chair in Metals Processing and Regents' Professor Mechanics of Materials Executive Director, Institute for Materials at Georgia Tech, USA

Articles

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