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Symposium 5: Computational materials design


Zi-Kui Liu, Pennsylvania State University, USA

Hamid Garmestani, Georgia Institute of Technology, USA

Moe Khaleel, Pacific Northwest National Laboratory, USA

Mei Li, Ford Motor Company, USA


Today, we are witnessing a paradigm shift in materials research and development from experimental based knowledge creation to integrated computational-prediction and experimental-validation approaches. The knowledgebase of a material consists of qualitative and quantitative understanding of thermodynamics, kinetics, crystallography, defects, and responses to service environments of the material. Traditionally, the quantitative data are obtained through extensive experimental investigations. With the current advances in information technology and multiscale computational frameworks, predictive science is contributing more and more in developing and completing the materials knowledgebase and opening unprecedented opportunities for materials design based on scientific principles and minimal empiricism.

This symposium focuses on two aspects of materials knowledgebase: the forward prediction tools and high throughput experimental approaches to efficiently generate materials knowledgebase, and the inverse design methodologies to effectively utilize the incomplete materials knowledgebase. Contributions addressing the various foundational aspects of this materials design enterprise, including hierarchical materials modeling over time and length scales, treatment of microstructure topology in process-structure and structure-property relationships, systems-based design frameworks for multi-objective performance requirements, industrial relevance, as well as the role of experiments in materials design, are invited.

Contact Information of Symposium Organizers

Zi-Kui Liu, Professor

Department of Materials Science and Engineering
The Pennsylvania State University
209 Steidle Building
University Park, PA 16802, USA
Phone: 814-865-1934, Fax: 412-291-3185
E-mail: dr.liu@psu.edu

Hamid Garmestani, Professor

Georgia Institute of Technology
Materials Science and Engineering
771 Ferst Drive, N.W.
Love Building, Room 286
Atlanta, GA 30332-0245, USA
Phone: 404-385-4495, Fax: 678-623-3920
E-mail: hamid.garmestani@mse.gatech.edu

Moe A. Khaleel, Director

Computational Sciences and Mathematics Division
Pacific Northwest National Laboratory
Richland, WA 99352, USA
Phone: 509-375-2438
E-mail: moe.khaleel@pnl.gov

Mei Li, Technical Expert

Materials Research and Advanced Engineering Department
Ford Research and Advanced Engineering Laboratory
Ford Motor Company
2101 Village Road
Dearborn, MI 48124-2053, USA
Phone: 313-206-4219, Fax: 313-390-0514
E-mail: mli9@ford.com