E. Synergies Between Computational Modeling and Experimental Characterization Across Length Scales

Symposium organizers

Rémi Dingreville (Sandia National Laboratories), Richard Karnesky (Sandia National Laboratories). Jean-Hubert Schmitt (École Centrale Paris/CNRS), Guillaume Puel (École Centrale Paris)

Symposium description

Recent advances in theoretical and numerical methods, coupled with an increase of available high performance computing resources, have led to the development of large-scale simulations capabilities in pertinent fields of Materials Science and Mechanical Engineering. These advanced computational capabilities focus over a large span of length scales ranging from the atomistic to the continuum scale, and serve as investigative tools to get a greater insight into the structure-properties relationships. As these predictive modeling capabilities become more and more comprehensive and quantitative, it is necessary to develop experiments and advanced characterization tools with comparable level of details to complement modeling efforts not only to verify and validate these multi-scale/multi-resolution models but also to motivate further theoretical and computational advances. With the advent of orientation mapping in SEM, and more recently in TEM and synchrotron X-ray microscopy that provide unprecedented insight into the microstructural mosaic, we now have the opportunity of "porting" the data in Euler space directly into modeling schemes thereby providing appropriate initial boundary conditions.

With increased synergies between experimental and computational approaches at multiple length-scales, new frontiers and research directions are emerging at the crossroads of traditional computational materials science, experimental materials science and integrated computational mechanics. Such cooperative interactions find many applications in the development, the characterization and the design of complex material systems.

This symposium will provide a forum for the materials science community to present and discuss the recent successes of predicting various physical phenomena and mechanisms in materials systems enabled by the collaboration between experimentalists and modelers. Presenters are encouraged to not only discuss their scientific research findings, but also the processes that have led to successful collaborations and tools leveraging the experiment-modeling synergy. In other words, the overarching theme of this symposium will provide insights into how computational materials science can be exploited as discovery tools for materials engineering rather than computational materials science "simply" supporting experimental work.

The organizers will pursue a special journal issue for this symposium in the Journal of Materials Science (impact factor 2.163).

Topics of interest include:

• Experiments and simulations of microstructures: including microstructure evolution and mechanical behavior at the microscale.
• Materials Science at the atomistic scale enabled by joint efforts of simulations and experimental characterization.
• 3D microstructure analysis, quantitative representation and data reconstruction (EBSD, tomography...).
• Experimental validation of computational tools and detailed simulation predictions over several length scales.
• Tools and resources that enhance collaboration between experimentalists and modelers.
• Future trends and needs in terms of both the methods and experimental characterization.

Confirmed Invited Speakers

• Joel Bernier (Lawrence Livermore National Laboratory, USA)
• Anthony Rollett (Carnegie Mellon University, USA)
• Franz Roters (Max Planck Institut Eisenforschung, Germany)
• Javier Segurado (IMDEA Materials Institute, Spain)
• Cem Tasan, Max-Planck Institute for Iron Research, Germany)