D. Predictive Modeling of Irradiation Effects in Structural and Functional Materials

Symposium organizers

Yuri Osetsky (Oak Ridge National Lab), Michael Tonks (Idaho National Laboratory), Guido Roma (Commisariat à l'Energie Atomique, France), Abderrahim Al-Mazouzi (Électricité de France), Jaime Marian (Lawrence Livermore National Laboratory)

Symposium description

Materials subjected to irradiation with energetic particles suffer significant changes in their microstructure followed by alteration of many physical and mechanical properties. Indeed, due to the harsh operating environment combining high temperature, intense radiation flux and aggressive chemical reactivity, the safe and economic utilization of nuclear power has raised tremendous challenges for materials used in current and future fission and fusion nuclear reactors, as well as for the long term behavior of materials used for the conditioning of nuclear waste. Predictive modeling of irradiation effects is also lacking for materials processing under ion implantation, such as semiconductors and insulators. Therefore, understanding and predicting radiation effects is vitally important to ensure the reliability of existing materials and to improve the development of new generations of advanced structural and functional materials for energy production and other applications.

Irradiation produces defects at the atomic scale, and their subsequent evolution determines the fate of materials behavior at the engineering scale. This multiscale nature of irradiation damage is also the source of many challenges that have motivated significant theoretical and computational research over the last couple of decades. Due to the difficulty and expense of reactor experiments, a successful multiscale materials modeling approach with predictive capabilities is still a key element to accelerate materials research and development; but also understand present day materials failures and to advance the basic scientific knowledge of materials evolution under strong non-equilibrium conditions. Any modeling effort must be accompanied by a concomitant experimental validation campaign as a way to validate the predictions and demonstrate the robustness of the approach. This strategy is valid for any material, whether structural or functional, and is the pathway toward an acceptable bridge with industry and commercial applications.

Studies that investigate, but are not limited to, the following areas are solicited:

  • Atomic-level simulations using first-principle calculations, conventional interatomic potentials, reactive force fields and spin dynamics.
  • Mesoscale methods such as kinetic Monte Carlo (object, lattice, on-the-fly, etc.), phase field, and discrete dislocation dynamics.
  • Larger scale continuum methods based on kinetic rate theory, plasticity theory and computational approaches such as finite elements.
  • Methods bridging different scales.
  • Validation and benchmarking against experiments.

All applications and materials will be considered, e.g. structural materials, fuels, functional materials, etc.

Confirmed invited speakers
  • Pareige Philippe (Normandie Universite)
  • Simon Phillpot (University of Florida, USA)
  • Brian Wirth (University of Tennessee, USA)
  • Chung H Woo (City University of Hong Kong, Hong Kong)

Key dates

  • Early registration deadline:
    August 15, 2014