Enhancing Nanoscience with Cyberinfrastructure at the Center for Nanoscale Materials
Derrick C. ManciniAssociate Division Director for Facilities & TechnologyProject Manager, Center for Nanoscale MaterialsAugust 3, 2006
http://nano.anl.gov
DOE BES Initiative for NanoScience & Technology: DOE BES Initiative for NanoScience & Technology: Nanoscale Science Research CentersNanoscale 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)
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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 MissionProviding 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
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• e-beam, nanoimprint• self-assembly• process integration
• biomimetics• dynamics• energy
• X-ray nanoprobe @ 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 CNMSix 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 EquipmentCNM Major Items of EquipmentEnabling Science through Enabling Science through Technical CapabilitiesTechnical Capabilities
100 keV JEOL 9300FS
Synthesis and assembly of colloidal
nanoparticles
2.5nm 50 nm
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 Centerat Argonne National Laboratory
IPNS
Center for Nanoscale Materials
Advanced Photon Source
Teraflop computingresources
CNM Building Functional Design
Public Space & OfficesPublic Space & Offices
SupportSupport
CleanroomsCleanrooms LaboratoriesLaboratories
X-rayNanoprobeBeamline
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 AccessA Challenge: Enabling Access
• Outreach• Coordinated Access• Distributed Access• Remote Access• Interactive Access• Training
• Telepresence• Telecollaboratory
Telepresence & TelecollaboratoryTelepresence & Telecollaboratory
• Platform Independent• Intuitive User Interface• Responsive to the User• Adaptable to Many Instruments• Provides user what they need to do science
Access Grid NodesAccess Grid Nodes
Ambient mic(tabletop)
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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 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
Cyberinfrastructure & Cyberinfrastructure & National User FacilitiesNational User Facilities
• Information• Coordination• Education• Conferencing• Telepresence• Telecollaboratory
A Challenge: Paying for it allA 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 & TelecollaboratoryTelepresence & Telecollaboratory
Neutron Residual Stress Facility at ORNL
Telepresence & TelecollaboratoryTelepresence & Telecollaboratory
TelePresence Microscopy Collaboratory, Advanced Microscopy Center at ANLNestor Zalucek and Presistent Electronic Spaces