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

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. Collaborative Networks
2

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. Materials Accelerator
Network
Wisconsin Materials
Institute /
Regional Materials and
Manufacturing Network
MAterials Simulation
Toolkit (MAST)
4

5. Materials Accelerator
Network
Wisconsin Materials
Institute /
Regional Materials and
Manufacturing Network
MAterials Simulation
Toolkit (MAST)
5

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. Materials Accelerator Network –
Members
Dane Morgan (UW)
Tom Kuech (UW)
Katusyo Thornton (UM)
John Allison (UM)
Jud Ready (GT)
David McDowell (GT)
7

8. Kickoff Workshop: Building an Integrated
MGI Accelerator Network
~150 participants, June 5-6, 2014 at Georgia Tech, GA
Sponsors
8

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. 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. 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. 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. 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. 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. Materials Accelerator
Network
Wisconsin Materials
Institute /
Regional Materials and
Manufacturing Network
MAterials Simulation
Toolkit (MAST)
15

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. • 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. 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. Web Portal
User-friendly, easy-to-navigate
web portal for sharing tools,
data and ideas among
materials researchers
and industry.
wiscmat.org
19

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. 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. Materials Accelerator
Network
Wisconsin Materials
Institute /
Regional Materials and
Manufacturing Network
MAterials Simulation
Toolkit (MAST)
22

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. 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. 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. 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. Thank You for Your
Attention
27
Questions? Please contact me at
ddmorgan@wisc.edu
W: 608-265-5879
C: 608-234-2906