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,

DOE BES Initiative for NanoScience & Technology: Nanoscale Science Research Centers DOE’s 5 NSRCs - 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)

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

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.

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

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. CNM Major Items of Equipment Enabling Science through Technical Capabilities 100 keV JEOL 9300FS Synthesis and assembly of colloidal nanoparticles 2.5nm 50 nm

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

Partnerships for Science at Argonne 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. The Electron Microscopy Center at Argonne National Laboratory IPNS Center for Nanoscale Materials Advanced Photon Source Teraflop computing resources

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

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

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

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

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

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)

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

Scientific Data Management Systems Common 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

Cyberinfrastructure & National User Facilities Information Coordination Education Conferencing Telepresence Telecollaboratory

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

Telepresence & Telecollaboratory Neutron Residual Stress Facility at ORNL

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

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