Linking Atomistic-to-Mesoscale Dynamics at Materials Interfaces
December 8, 2017
Northwestern-Argonne Institute of Science and Engineering
Director, Manufacturing Science and Engineering
Argonne National Laboratory and University of Illinois at Chicago
Argonne National Laboratory is launching Manufacturing Science and Engineering Initiative for embarking in science-based predictive design of scalable material technologies. Computational modeling of materials, processing, and devices will play a major role in this program. I will discuss some essential elements of the initiative and roles of University relationship. In addition, we will discuss our work in linking atomic-to-mesoscale methods for achieving three key predictive capabilities for accelerating materials to manufacturing transition.
- Design: Provide high-throughput materials discovery and performance prediction methods for complex material interfaces involving metal, polymers and hybrids/composites;
- Manufacture: Simulate material processing and manufacturing steps to provide guidance on morphological control and complex multi-material interface design including quantifying longer time scale segregation dynamics at grain boundaries
- Deploy: Predict material performance including development of models for lifetime prediction under different thermal, mechanical, chemical and electrochemical conditions.