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C - Crystal Plasticity: From Electrons to Dislocation Microstructure


Emmanuel Clouet
(CEA Saclay, France)
Nikhil Chandra Admal
(Univ. California Los Angeles, USA)
Yinan Cui
(Univ. California Los Angeles, USA)
Dan Mordehai
(Technion - Israel Institute of Technology, Israel)
David Rodney
(Univ. Claude Bernard Lyon 1, France)
Tomohito Tsuru
(Japan Atomic Energy Agency, Japan)


Predicting dislocation mediated crystal plasticity is an inherent multiscale modeling process that ranges in length scale from the atomic scale of the dislocation cores to the micrometer scale of dislocation substructures, and the intermediate mesoscopic scale of elastic interactions between 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 drag. 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. There is also an increased interest in developing physically based coarse-graining procedures, leading to crystal plasticity laws relying on the elementary mechanisms controlling the evolution of the dislocation microstructure.

To highlight such achievements, this symposium will focus on recent advances in dislocation-based modeling of plasticity, from the atomic to the continuum scale. Owing to the multiscale nature of crystal plasticity, contributions are solicited both on fundamental modeling of dislocation properties and on microstructural-based modeling of mechanical systems closer to the technological applications with incorporation of alloying effects, elastic anisotropy, thermally activated events, interactions with other structural defects, etc. Topics of interest include, but are not limited to:

- Dislocation core properties from atomistic simulations, including electronic structure calculations, with a special emphasis on the effects of solute elements and the description of thermally activated processes.
- 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 and grain 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.
- Microstructural-based modeling of engineering and technological systems, with incorporation of alloying effects, elastic anisotropy, thermally activated events, interactions with other structural defects etc.

Invited speakers

  • "Finite deformation Mesoscale Field Dislocation Mechanics"
  • By Amit Acharya, Carnegie Mellon University, USA
  • "Mesoscopic studies of slip and twinning processes in hcp polycrystalline materials"
  • By Irene Beyerlein, Univ. California Santa Barbara, USA
  • "Predictive simulations of crystal plasticity: multiscale or cross-scale?"
  • By Vasily Bulatov, Lawrence Livermore National Lab., USA
  • "Interstitial Shuffling Mechanism for Solute-Induced Embrittlement of Titanium"
  • By Daryl Chrzan, Univ. California Berkeley, USA
  • "Quantifying the effect of hydrogen on dislocation dynamics in microcrystals: A three-dimensional discrete dislocation dynamics study"
  • By Jaafar El-Awady, Johns Hopkins University, USA
  • "Hydrogen consequences on cyclic behaviour of <001> nickel single crystals : a multi-scale approach"
  • By Xavier Feaugas, Université de La Rochelle, France
  • "Thermal fluctuations of dislocations reveal the interplay between their core energy and long-range elasticity"
  • By Pierre-Antoine Geslin, INSA Lyon/CNRS, France
  • "Kinetic Monte Carlo model of screw dislocation-solute coevolution in W-Re alloys"
  • By Jaime Marian, Univ. California Los Angeles, USA
  • "Plasticity and Fracture in Transition Metal Carbides"
  • By Giacomo Po, Univ. California Los Angeles, USA
  • "A Multi-Scale Dislocation Language - Data Mining, Statistical Analysis, and Steps Towards a Community-Driven Data Base"
  • By Stefan Sandfeld, TU Bergakademie Freiberg, Germany
  • "Effect of interstitial solutes on the structure and mobility of screw dislocations in bcc metals"
  • By François Willaime, CEA Saclay, France
  • "First Principles Calculations of Dislocations in Model Engineering Alloys (Ni, Ni3Al, hcp-Ti, and a Refractory Metal BCC-HEA)"
  • By Christopher Woodward, Air Force Research Laboratory, USA