4th World Congress on Integrated Computational Materials Engineering (ICME 2017): Plenary III
Program Organizers: Paul Mason, Thermo-Calc Software Inc.; Michele Manuel, University of Florida; Alejandro Strachan, Purdue University; Ryan Glamm, Boeing Research and Technology; Georg J. Schmitz, Micress/Aachen; Amarendra Singh, IIT Kanpur; Charles Fisher, Naval Surface Warfare Center

Wednesday 8:00 AM
May 24, 2017
Room: Salon II, III, IV
Location: Ann Arbor Marriott Ypsilanti at Eagle Crest

8:00 AM  Invited
ICME Guided Cast Aluminum and Steel Alloys Development in Automotive Applications: Mei Li1; 1Ford Motor Company
    To improve the fuel economy and reduce the automobile emissions, high-performance engines and exhaust systems are imperative which require new advanced materials to be able to operate at higher temperatures. The recent advanced engines increase the maximum engine operating temperature from approximately 170C to well above 200C, and exhaust components surface temperature beyond 1000oC. The increase in the operational temperatures requires new materials with optimized properties in terms of tensile, fatigue and thermos-mechanical fatigue strength. This talk will present two examples of the important role that ICME plays in accelerating the development of new cast aluminum and Nb-bearing austenitic heat-resistant cast steel alloys, the design and optimization of the performance of the components at Ford, as well as the gaps in meeting the challenging requirements in ICME approach.

8:40 AM  Invited
Uncertainty Management and Decision Making in the ICME Process Chain: Jitesh Panchal1; 1Purdue University
    The management of uncertainty is well recognized as one of the crucial activities in the ICME process. Uncertainty management is broader than uncertainty quantification in modeling and simulation. It involves a number of decisions such as choosing which model to sample from, deciding how much experimental data to gather, deciding whether to refine a model or not, choosing the level of model fidelity, deciding a model validation strategy, deciding whether to reuse existing models or to develop new customized models, deciding which multiscale models to integrate, and deciding to compose models at different scales. Such decisions are further complicated in the presence of human decision makers, multiple teams, and organizational boundaries. The focus in this talk will be on (i) the need for rigorous techniques for making consistent uncertainty management decisions within ICME, (ii) existing decision making frameworks that can be used to address the need, and (iii) the research challenges involved in implementing such frameworks within realistic industrial settings.

9:20 AM  Invited
The Materials Project for Accelerated Design of Energy Materials: Muratahan Aykol1; 1Lawrence Berkeley National Laboratory
    The Materials Project (http://www.materialsproject.org) leverages the exponentially growing computational power of the information age for materials design, with the goal of accelerating the materials development and discovery through advanced scientific computing and innovative design methods. Since its launch in 2011, Materials Project has computed more than 67,000 inorganic compounds using high-throughput density functional theory. A large number of materials properties such as the crystal structure, X-ray diffraction pattern, band structure, battery electrode properties, elastic tensors, stability, reaction energies and more, can be freely accessed and queried through the web interface of Materials Project or its application programming interface (API). In this talk, we will highlight the materials design tools and the data infrastructure that emerged over the years of efforts in applying a materials genomic approach in materials design, and present examples of how the data we produced can be leveraged to design novel energy materials. These examples include novel electrodes and electrolytes in energy storage and production, along with dissemination of phase stability, solid-aqueous stability, elastic properties and electronic structure information across structure and chemical space.

10:00 AM Break