Enhancing Nanoscience with Cyberinfrastructure at the Center for Nanoscale Materials

1. Enhancing Nanoscience with Cyberinfrastructure at the Center for Nanoscale Materials Derrick C. Mancini Associate Division Director for Facilities & Technology Project Manager, Center for Nanoscale Materials August 3, 2006 http://nano.anl.gov

2. DOE BES Initiative for NanoScience & Technology: Nanoscale Science Research Centers DOE’s 5 NSRCs - http://www.sc.doe.gov/bes/NNI.htm • Center for Nanophase Materials Sciences (ORNL) • Molecular Foundry (LBNL) • Center for Functional Nanomaterials (BNL) • Center for Integrated Nanotechnologies (SNL-LANL) • Center for Nanoscale Materials (ANL)

3. Center for Nanoscale Materials • Federal/State partnership • $36 M DOE Equipment • $36 M State of Illinois Building • Building Occupancy - April ’06 • Full Operations - October ’07

4. Center for Nanoscale Materials Mission Providing the Nation with a state-of-the-art User facility at Argonne National Laboratory for the development and dissemination of the techniques for the synthesis, fabrication, characterization and theory of materials at the nanoscale … • Sustain world-leading standards of scientific and technical excellence. • Ensure peer-reviewed, open access to the scientific community. … supporting the BES mission in fundamental research, energy security and the economy.

5. biomimetics • dynamics • energy • physics and chemistry in the near optical field. • plasmonics. • e-beam, nanoimprint • self-assembly • process integration • nanomagnetism • nanoferroelectricity • oxide MBE, UNCD • structure/dynamics • novel devices • computational nanoscience; ‘virtual fab lab’ • advanced computing; user friendly code • X-ray nanoprobe @ APS • chemical, structural, strain, domain mapping. • in-situ processes. Six Integrated Themes at the CNM Nanofabrication Nanophotonics NanoBio Interfaces Electronic/Magnetic Materials & Devices X-ray Imaging & Scattering Theory & Simulation

6. 50 nm 2.5nm CNM Major Items of Equipment Enabling Science through Technical Capabilities • Nanosynthesis • Self-assembly, bio/organic/inorganic synthesis, thin film deposition. • Nanofabrication • Lithography, imprint, milling, etching. • Nanocharacterization • Structural, magnetic, electronic, chemical and dynamical properties. • In-situ synthesis, growth and fabrication processes. • Theory and Simulation • Leveraging ANL leadership computing. Synthesis and assembly of colloidal nanoparticles 100 keV JEOL 9300FS

7. 30 nm beam: Fresnel zone plate Xradia is on target. CNM Hard X-ray Nanoprobe at the APS

8. The Electron Microscopy Centerat Argonne National Laboratory Partnerships for Science at Argonne Center for Nanoscale Materials • ANL’s outstanding scientific and engineering programs. • CNM is a new kind of DOE facility focused on materials: can help to bridge basic and applied. • ‘One-stop’ User access to all Argonne facilities. • Gateway to partner facilities at ANL. Advanced Photon Source IPNS Teraflop computing resources

9. Public Space & Offices Cleanrooms Laboratories Support CNM Building Functional Design X-ray Nanoprobe Beamline

10. Information Technology Features • Computer Support Suite (2nd floor) • Single centralized telecommunication hub • 2000 sq. ft. conditioned computer cluster room • Computer control room • State-of-the-art telecommunication infrastructure • Cat 6U Enhanced copper structured cable for 10Gbit • Single and multimode fiber to main node and beamline • Independent Cat 6U VOIP phone system • Over 800 drops at startup • Wireless LAN for continuous coverage • Cell phone internal repeater via fiber • Local and remote server and cluster capability

11. A Challenge: Enabling Access • Outreach • Coordinated Access • Distributed Access • Remote Access • Interactive Access • Training • Telepresence • Telecollaboratory

12. Telepresence & Telecollaboratory • Platform Independent • Intuitive User Interface • Responsive to the User • Adaptable to Many Instruments • Provides user what they need to do science

13. Presenter mic Presenter mic Presenter camera Presenter camera Ambient mic (tabletop) Audience camera Ambient mic (tabletop) Audience camera Access Grid Nodes

14. A Challenge: Enhancing Use of Data • Multidisciplinary science and national user facilities generating large, complex datasets that are becoming unmanageable • Existing data (experiment and simulation) can be far better exploited if it can be effectively shared, searched, and accessed • Far better utilization of existing resources and facilities • Can approach new problems enabled by the above • Integrating data to enhance iterative feedback (ex. experiment and simulation)

15. Scientific Data Management Systems • The problem is here today for experimentalists • The concepts are understood to deal with the problems • A lot of technologies are available that can attack these problems • The tools have yet to be implemented for existing experimental communities • Commercial tools are either not available or require significant development and modification (ex CMS) • The DOE facilities and collaboratories present specific examples of problems and communities that can be defined and approached within a reasonable time-frame

16. Scientific Data Management SystemsCommon Themes • Data mining, effective searching • Provenance, pedigree,versioning, workflow • Schema engineering • design, tools, implementation, evolution, collaboration • Metadata management • source, science schema, workflow, archival, etc. • Linking (multilevel, federated) • data, databases, schemas, systems, etc. • Access • Portals, CMS, security, interfacing, standards • Real-time, reliability, and capacity issues

17. Cyberinfrastructure & National User Facilities • Information • Coordination • Education • Conferencing • Telepresence • Telecollaboratory

18. A Challenge: Paying for it all • Facilities can set aside small portion • Common needs for many facilities • Leveraging resources • Sharing resources • Initiatives for common challenges

19. Telepresence & Telecollaboratory Neutron Residual Stress Facility at ORNL

20. Telepresence & Telecollaboratory TelePresence Microscopy Collaboratory, Advanced Microscopy Center at ANL Nestor Zalucek and Presistent Electronic Spaces

21. Telepresence & Telecollaboratory ANL Univ. of Illinois ORNL LBNL Materials MicroCharacterization Laboratory Adoption of Web-based TPM Protocols NIST