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Morgan mgi meeting 2015 01-11 v2.0 distribution

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Presentation at MGI PIs meeting hosted jointly by NSF and DOE in Marlyand, January 12, 2015.

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Morgan mgi meeting 2015 01-11 v2.0 distribution

  1. 1. “Collaborative Networks” and the MGI Dane Morgan University of Wisconsin, Madison Department of Materials Science and Engineering ddmorgan@wisc.edu 608-265-5879 DOE/NSF Materials Genome Initiative (MGI) Principal Investigators' Meeting Marriott Hotel & Conference Center, North Bethesda, MD January 12, 2015 1
  2. 2. Collaborative Networks 2
  3. 3. What are Collaborative Networks? “Collaborative networks” are groups that strengthen integration of • Theory, computational modeling, characterization, synthesis, and processing (particularly theory and experiment) • Academia and industry • Workflow in materials development • The community to solve problems 3 • Materials Genome Whitepaper, Materials Genome Initiative for Global Competitiveness, June 2011 • National Science and Technology Council Committee on Technology - Subcommittee on the Materials Genome Initiative, Materials Genome Initiate Strategic Plan, 2014 “One of the largest challenges will be encouraging scientists to think of themselves not as individual researchers but as part of a powerful network collectively analyzing and using data generated by the larger community.” Materials Genome Whitepaper, Materials Genome Initiative for Global Competitiveness, June 2011 Collaborative networks are a key part of reaching MGI goals (“twice as fast at half the cost”)
  4. 4. Materials Accelerator Network Wisconsin Materials Institute / Regional Materials and Manufacturing Network MAterials Simulation Toolkit (MAST) 4
  5. 5. Materials Accelerator Network Wisconsin Materials Institute / Regional Materials and Manufacturing Network MAterials Simulation Toolkit (MAST) 5
  6. 6. Materials Accelerator Network – Introduction • Original idea from Cyrus Wadia for an integrating network to drive MGI activities across the country • Announced by the White House Office of Science and Technology Policy announced in June 24, 2013 • An initiative organized jointly by Georgia Tech, the University of Wisconsin- Madison, and the University of Michigan to begin a national dialogue regarding prospects for establishing a national scale “Accelerator Network” for materials discovery, development and deployment. 6 http://acceleratornetwork.org/ Connect academia, industry and government stakeholders to fulfill the goals of the Materials Genome and Manufacturing Initiatives
  7. 7. Materials Accelerator Network – Members Dane Morgan (UW) Tom Kuech (UW) Katusyo Thornton (UM) John Allison (UM) Jud Ready (GT) David McDowell (GT) 7
  8. 8. Kickoff Workshop: Building an Integrated MGI Accelerator Network ~150 participants, June 5-6, 2014 at Georgia Tech, GA Sponsors 8
  9. 9. Building an Integrated MGI Accelerator Network - Outcomes • A full report of the workshop • Slide decks of all the presentations acceleratornetwork.org/eve nts/past-events/building- an-integrated-mgi- accelerator-network/ 9
  10. 10. Building an Integrated MGI Accelerator Network - Outcomes • Materials domain specific recommendations from each break out session. • Cross-cutting recommendations from the break-out sessions. • Path forward recommendations for the materials accelerator network. 10
  11. 11. Recommended Path Forward for the Accelerator Network 1. Information portal linking MGI efforts, including capabilities for self-identification of MGI activities. 2. Foster development of a world class current and future MGI workforce. – Create/promote MGI-relevant curricula, focus articles 1. Assist in framing Foundational Engineering Problems (FEPs) – Requirements/specifications-driven materials development that connects to industry needs and the materials supply chain to achieve MGI oriented culture shift in materials research and development. – Workshops and working groups in specific materials classes – Collect information from community to establish case studies, stakeholder networks, teams for group proposals. 11
  12. 12. Recommended Path Forward for the Accelerator Network 4. Promote MGI “materials innovation infrastructure” – High-throughput synthesis, processing, characterization, property measurement and computational screening. – Shared resources for three-dimensional, in-situ and time resolved experimental methods. – Cyberinfrastructure (information infrastructure, integrated distributed modeling and simulation tools/data analytics/data generating and archiving, scientific workflows, web-enabled collaborative platforms) 12
  13. 13. Accelerator Network Next Steps A Call For Participation! • Help us build a network to achieve these goals • We are looking for collaborators in these activities and to make connections with related efforts • Contact us if you might have interest … - Tom Kuech (University of Wisconsin, kuech@engr.wisc.edu) - Dane Morgan (University of Wisconsin, ddmorgan@wisc.edu) - David McDowell (Georgia Institute of Technology, david.mcdowell@me.gatech.edu) - Jud Ready (Georgia Institute of Technology, Jud.Ready@gtri.gatech.edu) - John Allison (University of Michigan, johnea@umich.edu) - Katsuyo Thornton (University of Michigan, kthorn@umich.edu) 13
  14. 14. February 9-10, 2015 University of Wisconsin, Madison • Highlight exciting applications of informatics in materials science – Data management/Cyberinfrastructure/Minin g and Discovery – Industry/Academia – Experiment/Simulation • Engage materials and data scientists in a more integrated community • Brainstorming oriented event we expect to yield both novel ideas and cross-disciplinary collaborations matinformatics.engr.wisc.edu 14
  15. 15. Materials Accelerator Network Wisconsin Materials Institute / Regional Materials and Manufacturing Network MAterials Simulation Toolkit (MAST) 15
  16. 16. The Wisconsin Materials Institute (WMI) • Established June 2013 with $5m support from UW CoE • Co-directors – Tom Kuech (kuech@engr.wisc.edu) – Dane Morgan (ddmorgan@wisc.edu) • UW materials umbrella, response to the Manufacturing and Materials Genome Initiatives WMI enables collaborative, high-impact materials science and development at University of Wisconsin-Madison and beyond materials.wisc.edu 16
  17. 17. • UW system 13 four-year, 13 two-year, and UW-extension 180k students $6b budget, with extensive materials centered programs and research • Industry Dozens of innovative companies developing next-generation materials technologies • Materials Infrastructure Hundreds of millions of dollars of materials infrastructure in academia and industry A RMMN can help us fully realize the potential of these resources 17
  18. 18. UW-Madison, December 9th, 2013. • Goal Help participants learn about each other’s resources and needs. Formulate a roadmap for establishing the Regional Materials Network. • Attendees 57 registered attendees from a range of UW system schools (e.g., UW-Madison, UW-Stout, UW-Platteville, UW-Milwaukee) companies and institutions (e.g., the USDA Forest Products Laboratory). • Recommendations Portal to available resources Practical mechanism for sharing equipment resources using remote access 18
  19. 19. Web Portal User-friendly, easy-to-navigate web portal for sharing tools, data and ideas among materials researchers and industry. wiscmat.org 19
  20. 20. Remote Access and Networked Data Cloud based delivery of data and data analysis software Lead: Paul Voyles (voyles@engr.wisc.edu) First data sets and analysis tools online January 2015 20
  21. 21. Regional Industrial Network (RIN) Connecting academia, business, and government in order to: • Create a network of Industrial Outreach organizations/local consortia at Wisconsin-based System Universities, Colleges and Technical Colleges • Drive academic-industry interactions, e.g., internships, research support, and technology transfer • Provide workforce for local industry, job opportunities for students University of Wisconsin–Madison Advanced Materials Industrial Consortium (AMIC) uwamic.wisc.edu 21
  22. 22. Materials Accelerator Network Wisconsin Materials Institute / Regional Materials and Manufacturing Network MAterials Simulation Toolkit (MAST) 22
  23. 23. MGI and Collaborative Networks Impact on My Research Group Contribute to MGI CommunityBorrow from MGI Community • Pymatgen1 • Atomic Simulation Environment (ASE)2 • Materials project databases and team3 Research Group • Focus on High-Throughput Atomistic Simulation • Group cultural change to using and contributing to network of infrastructure • Massively accelerate understanding and discovery Materials Simulation Toolkit (MAST) AtomTouch Wu, Morgan, et al., In prep ‘15 1. Ong, et al., Comp Mat Sci ’13 2. Bahn and Jacobson, Comput. Sci. Eng. ‚02 3. materialsproject.org Software Infrastructure for Sustained Innovation (SI2) award No. 1148011 23 Pt pypi.python.org/pypi/MAST materialshub.org/ https://mobile.wisc.edu/mli-projects/project-atomtouch/ Interacting with the Worlds Universal Building Blocks
  24. 24. High-Temperature Solid Oxide Fuel Cell Catalyst Design • Solid Oxide Fuel Cells (SOFCs) are a promising technology for centralized, distributed, and portable power • Critical cost/durability improvements can be enabled by lower temperature, which requires more active cathode catalysts. • Most difficult property to improve is surface exchange coefficient, K* ASR = AT cvgDktr( ) 1 2 M. Mogensen and P. V. Hendriksen, in High-Temperature Solid Oxide Fuel Cells: Fundamentals, Design and Applications, edited by S. C. Singhal and K. Kendall (Elsevier Science Ltd, New York, 2003); S.B. Adler, et al., JES, ‘96 24
  25. 25. Solid Oxide Fuel Cell cathode catalyst design Descriptor discovered in 2011, but could not easily search large space and screen for stability and activity. -10 -8 -6 -4 -2 -4 -3 -2 -1 Log(K*)(cm/s) O2p Band Center Measured Predicted Lee, Morgan, et al. EES ‘11 -10 -8 -6 -4 -2 -4 -3.5 -3 -2.5 -2 -1.5 -1 Log(K*)(cm/s) O2p Band Center Measured Automated search of ~1200 perovskite compounds Predicton of stability vs. other oxides 25 Estimated Removed unpublished data from this area
  26. 26. Conclusions “Collaborative networks” at all levels are a critical part of achieving MGI goals (twice as fast for half the cost). 26 Materials Accelerator Network Wisconsin Materials Institute / Regional Materials and Manufacturing Network MAterials Simulation Toolkit (MAST) Please engage in supporting these networks and the associated cultural changes.
  27. 27. Thank You for Your Attention 27 Questions? Please contact me at ddmorgan@wisc.edu W: 608-265-5879 C: 608-234-2906

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