MMM2018

Markus Kühbach

(Max-Planck-Institut für Eisenforschung GmbH, Germany)

Luis Barrales-Mora

(Georgia Tech Lorraine, France)

Martin Diehl

(Max-Planck-Institut für Eisenforschung GmbH, Germany)

A major goal of numerical models and computer simulations in materials science and engineering is the prediction of material properties as a function of their thermomechanical processing route. The diverse physical mechanisms on such a route evolve the spatial arrangement and quantity of crystal defects, phases, and local chemical composition which in turn determine the material properties. Consequently, simulations of microstructure evolution provide state variable values for the prediction of macroscopic material behavior. Reliable property predictions via simulations of microstructure evolution require not only to encode a thorough understanding and abstraction of the underlying individual physical mechanisms of microstructure modification into numerically precise and efficient models, but also to couple the cooperative effect of individual mechanisms via multi-physics models. This can be achieved by connecting atomistic simulation of fundamental physical processes by bottom-up data transfer strategies to continuum models at the mesoscopic and macroscopic scales. The last two decades' unprecedented development in computing capacity and the significant progress in physics-based material models have permitted performing these tasks more productively than ever before.

This symposium aims at scientists working in diverse areas of materials science and engineering to present, assess, and discuss the challenges inherent in the modeling and simulation of microstructures and evaluate their implications for predicting material properties with accuracy and significance. We especially welcome combined efforts by theoreticians, modelers, and experimentalists. Ideally, examples of multi-scale informed modeling approaches are presented that combine the handling of different physical effects in one framework. The symposium provides a forum for those who identify synergies and explore potential novel avenues which integrate current and next generation computing resources productively into the process of modeling-driven integrated computational materials engineering (ICME).

Topics of interest

- Crystal plasticity
- Recovery, recrystallization, and grain growth
- Phase transformation
- Multi-physics approaches
- Collaborative approaches to materials science by experiments and simulations
- Experimentally-aided Multiscale Materials Modeling
- Through-process modeling and ICME approaches
- Data-science in materials science

• "Large-scale multiphase flow simulations on a GPU supercomputer"
• By Takayuki Aoki, Tokyo Institute of Technology, Japan

• "A Cosserat crystal plasticity and phase field theory for grain boundary migration"
• By Benoît Appolaire, Université de Lorraine, France

• "New algorithms for simulating grain boundary motion"
• By Selim Esedoğlu, University of Michigan, USA

• "Programmable Materials - tuning effective materials response"
• By Peter Gumbsch, Karlsruhe Institute of Technology, Germany

• "Data Analytics for Mining Process-Structure-Property Linkages for Hierarchical Materials"
• By Surya Kalidindi, GeorgiaTech, USA

• "From state parameter-based microstructure modeling to temperature and strain rate-dependent yield stress"
• By Ernst Kozeschnik, TU Wien, Austria

• "Showdown! Pitting computer simulations against time-resolved experimental measurements of grain growth in 3D"
• By Carl Krill, Ulm University, Germany

• "Mesoscale plasticity models of polycrystalline materials for efficient computation of microstructure/property relationships"
• By Ricardo Lebensohn, Los Alamos National Laboratory, USA

• "Microstructure formation in large-scale molecular dynamics simulation"
• By Yasushi Shibuta, University of Tokyo, Japan

• "Atomistically informed full-field simulation of tempered martensite:Quenching, tempering and mechanical characterization"
• By Ingo Steinbach, Ruhr-Universität Bochum, Germany

• "Advanced analysis tools for atomistic microstructure modeling"
• By Alexander Stukowski, TU Darmstadt, Germany

• "Solidification microstructure formation by phase-field simulation with multi-GPU acceleration"
• By Tomohiro Takaki, Kyoto Institute of Technology (KIT), Japan

• "An Integrated Experimental and Computational Approach to Microstructure-Property Relationships in Structural Materials"
• By Yunzhi Wang, Ohio State, USA

• "Biomineralization in molluscan shells: From ideal to hierarchical grain growth"
• By Dana Zöllner, B CUBE - Center for Molecular Bioengineering, TU Dresden, Germany