C. Multiscale modeling of crystal plasticity of materials

Keynote speakers:

Maryam Ghazisaeidi Ohio State University, USA
Wei Cai Stanford University, USA
Abigail Hunter Los Alamos National Laboratory, USA
William Curtin Brown University, USA
Giacomo Po University of Miami, USA
Javier Llorca IMDEA, Spain
Yinan Cui Tsinghua University, China
Nicolas Bertin Lawrence Livermore National Laboratory, USA
Vasily Bulatov Lawrence Livermore National Laboratory, USA
Martin Diehl Katholieke Universiteit, Leuven, Belgium
Péter Dusán Ispánovity Eötvös Loránd University, Hungary

The strength of a metal or an alloy is intrinsically derived from its plasticity, which, in turn, depends on the creation, evolution, multiplication, and annihilation of its underlying deformation carriers and, particularly, dislocations. Crystal plasticity can be described through multiscale modeling processes that span a wide range of length scales, from the atomic scale of dislocation cores to the micrometer scale of dislocation and interfacial substructures, with the intermediate mesoscopic scale, focusing on elastic interactions between lattice defects. Modeling crystal plasticity also requires capturing events that span multiple time scales, including fast events driven by dislocation glide and slower thermally-activated events like dislocation nucleation, cross-slip and climb, obstacle bypass or solute diffusion. Significant progress has been made over the past years in the development of multiscale methods that couple these different scales into a single framework or through upscaling strategies. Additionally, there is a growing interest in the development of physically based coarse-graining procedures, which have helped to define crystal plasticity laws based on elementary mechanisms governing the evolution of dislocation microstructures.

This symposium will focus on recent highlights of the latest advances in dislocation-based modeling of plasticity, covering a comprehensive range from the atomic to the continuum scale. Given the multiscale nature of crystal plasticity, contributions are encouraged on fundamental modeling of dislocation properties, as well as microstructural-based modeling of mechanical systems that are closer to technological applications. Such models should incorporate crucial factors like alloying effects, elastic anisotropy, thermally-activated events, twining, and interactions with other structural defects, among others.

The symposium covers the following topics:

  • Dislocation core properties from atomistic simulations, including electronic structure calculations.
  • Fundamental dislocation properties, such as activation energies and rates for dislocation nucleation, glide, cross-slip, climb, etc.  
  • Discrete dislocation dynamics simulations and other coarse-grained mesoscopic modeling of the dislocation microstructure evolution.
  • Interactions of dislocations with other defects, including twin/grain/interphase boundaries, precipitates, etc.
  • Continuum descriptions of the dislocation microstructure leading to physically based crystal plasticity simulations.
  • Multiscale bridging methods or upscaling strategies linking different length and/or time scales in crystal plasticity

Symposium organizers:

Sylvie Aubry Lawrence Livermore National Lab, USA
Irene Beyerlein  UC Santa Barbara, USA
Emmanuel Clouet  CEA Saclay, France
Katrin Schulz  Karlsruhe Institute of Technology, Germany
Zhaoxuan Wu  City University of Hong Kong, China