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

CNM Hard X-ray Nanoprobe at the APS30 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 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

Telepresence & TelecollaboratoryTelepresence & Telecollaboratory

Materials MicroCharacterization LaboratoryAdoption of Web-based TPM Protocols

Univ. of Illinois Univ. of Illinois

ORNL ORNL

LBNLLBNL

NISTNIST

ANLANL