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Gerhard KlimeckTechnical Director
Network for Computational Nanotechnology
October 3, 2006
Why is NanotechnologyMultidisciplinary?
A perspective of one EE
Univ. of Florida, Univ.of Illinois, Norfolk State, Northwestern, Purdue, Stanford, UTEP
Network for Computational Nanotechnology (NCN)Presents Nano 101
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Why is Nanotechnology Multidisciplinary?Presentation Outline
•How small is a nanometer?•A simple view of traditional disciplines (from an EE perspective)•How do the disciplines meet?•How do traditional EE’s approach Nanotechnology? Moore’s Law•A Multidisciplinary Example - NEMOWhy do we need simulation?NEMO - an example of an industrial multi disciplinary research effortWhat is atomistic bandstructure?
•Another exampleNetwork for Computational Nanotechnology (NCN) and nanoHUB.orgBeing of service to othersA project organizationOn-line simulationInteractive lecturesReal impact
•Are you interested in nanoHUB.org?
3
What is nanotechnology?
(from Prof. Mildred Dresselhaus, MIT)
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How big is a nanometer?
• 1 billionth of a meter• 1/50,000 the diameter of a human hair• 40% of the diameter of a DNA molecule• 5 times the interatomic spacing in a silicon crystal
1 nm
PolySi image: C. Song, NCEM
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Dust mite~500 µm
Ant~5 mm
Human hair10-50 µm dia.
Fly ash~10-20 µm dia.
Red blood cellswith white cell
2-5 µm dia.
~10 nm dia.ATP synthesis
DNA2.5 nm dia. Atoms in silicon
0.2 nm spacing
Quantum corral of 48 iron atoms on copper surface positioned one at a time with an STM tip - Corral diameter 14 nm
Carbon nanotube~2 nm diameter
Nanotube devices (C. Dekker)
Red blood cellsPollen grain
Microelectromechanical devices10-100 µm wide
Head of a pin1-2 mm
Assemble nanoscalebuilding blocks to make functional devices,e.g., a photosyntheticreaction center withintegral semiconductorstorage
1 nanometer (nm)
1000 nanometers=1 micrometer(µm)
Visi
ble
spec
trum
0.1 nm
0.01 µm10 nm
0.1 µm100 nm
0.01 mm10 µm
0.1 mm100 µm
1,000,000 nanometers=1 millimeter(mm)
1 cm10 mm
The
Nan
owor
ldTh
e M
icro
wor
ld
10-2m
10-3m
10-4m
10-5m
10-6m
10-7m
10-8m10-8m
10-9m
10-10m
Adapted from: NRC Report: Small Wonders, Endless Frontiers: Review of the NationalNanotechnology Initiative (National Research Council, July 2002)
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Traditional Disciplinesa personal perspective
Dealing with Atoms:• Physics/Material Science:
Interests: Understanding how electrons and atomic cores interactGeometries/Conditions: typically large in equilibrium
• Chemistry: Interests: Combining atoms to molecules to create new functionalitiesGeometries/Conditions: typically large number of molecules of the same kind
• Biology: Interests: Empirical understanding of macro-moleculesGeometries/Conditions: very large molecules in solutions
Making Things Small• Electrical Engineering / Mechanical Engineering
Interests: small, fast, and no-so-hot computersGeometries/Conditions: tens of nanometer large, far-from-equilibrium
Dealing with Discrete Bits of Information• Computer Science / Computer Engineering
Interests: How can information be encoded, processed, and transmittedConditions: Algorithms
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How do the disciplines meet?Some examples
Man-made structures with nanometer dimensions
=> ~100,000-1M Atoms
Electrical Engineers:A small transistor device!
Material Scientists:A new material!
Physicists:Observable
quantum effects!
Chemists:A very large molecule!!
Biology:Sensing at the
bio-scale!
Computer Science/Engineering:New Information Representations!
Mechanical Engineers:A small Resonator!
One Grand Challenge:Engineering systems at the nanoscale - Can we model/simulate and build?
Interests: Assemble nano-scale elements to artificial systems composed with new functionConditions: in non-equilibrium, experimental exploration simplified by simulation?
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Nano in Traditional Electrical EngineeringMoore’s Law
Gordon Moore - Co-founder of Intel in 1965:Paraphrased: Circuit complexity / capability doubles every 18 months at constant cost
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kT >>e2
2C
kT <<e2
2C
1-Dfeature5-100 Å
2-Dfeature
Lithography
Gro
wth
Exponential performance increase:• Enabled by
•device miniaturization•chip size increase
• Limited by:•Costs of fabrication
2D F
eatu
re
Moore’s Law for Lithography
A Second Look at Moore’s LawShrinking Device Sizes
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kT >>e2
2C
kT <<e2
2C
1-Dfeature5-100 Å
2-Dfeature
Lithography
Gro
wth
Exponential performance increase:• Enabled by
•device miniaturization•chip size increase
• Limited by:•Costs of fabrication•Discrete atoms/electrons
A Third Look at Moore’s LawCountable number of electrons
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kT >>e2
2C
kT <<e2
2C
1-Dfeature5-100 Å
2-Dfeature
Lithography
Gro
wth
Exponential performance increase:• Enabled by
•device miniaturization•chip size increase
• Limited by:•Costs of fabrication•Discrete atoms/electrons
Quantum Dots• Artificial Atoms - Electron Boxes
1D Heterostructures• Lasers and detectors• Fast electronic devices
A Third Look at Moore’s LawCountable number of electrons
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Why is Nanotechnology Multidisciplinary?Presentation Outline
•How small is a nanometer?•A simple view of traditional disciplines (from an EE perspective)•How do the disciplines meet?•How do traditional EE’s approach Nanotechnology? Moore’s Law•A Multidisciplinary Example - NEMOWhy do we need simulation?NEMO - an example of an industrial multi disciplinary research effortWhat is atomistic bandstructure?
•Another exampleNetwork for Computational Nanotechnology (NCN) and nanoHUB.orgBeing of service to othersA project organizationOn-line simulationInteractive lecturesReal impact
•Are you interested in nanoHUB.org?
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Simulation is Essential forNanoscale Electron Devices
Simulation
Characterization Fabrication
Hint from the Semiconductor Industry:• Moore’s law is really supported bysimulation!
• No new devices / circuits designed withoutsoftware!
Problems:• There are no nanoelectronic design tools!• Design space is huge
• Choice of materials, shapes,orientations, dopings, heat anneals
• Characterizations are incomplete andinvasive / destructive
Simulation Impact:• Aid Design. Fast, cost effective.
-> Device performancealready successful for 1-D quantum devices
• Aid Characterization• Non-invasive, More accurate-> Structure and doping analysisalready successful for 1-D quantum devices
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A Multidisciplinary Research ExampleNEMO at Texas Instruments 1994-98
Manager / Sales Person•We can build devices with atomic layercontrol that enable THz dataprocessing
Electrical Engineer•We need a s/w to guide experimentsPhysicist / Electrical Engineer•We need a fundamental transporttheory
20/50/ 2
Computer Scientist / Engineer•We need new algorithms to enable thefast computation of the new theory
Software Engineer•We need a graphical user interface
All of them•Need to understand some “nano”
Transport /Engineering
Quantum Mechanics / Physics
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NEMO the fist Nanoelectronic TCAD Tool
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Why is Nanotechnology Multidisciplinary?Presentation Outline
•How small is a nanometer?•A simple view of traditional disciplines (from an EE perspective)•How do the disciplines meet?•How do traditional EE’s approach Nanotechnology? Moore’s Law•A Multidisciplinary Example - NEMOWhy do we need simulation?NEMO - an example of an industrial multi disciplinary research effortWhat is atomistic bandstructure?
•Another exampleNetwork for Computational Nanotechnology (NCN) and nanoHUB.orgBeing of service to othersA project organizationOn-line simulationInteractive lecturesReal impact
•Are you interested in nanoHUB.org?
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Bandstructure BasicsElectron Conduction in Solids
Solid
Transportconductivity, mobility
RegularlyOrderedAtoms
Gas
Quantum MechanicsOptical TransitionsCoulomb Repulsion
s pzpx yp
IsolatedAtom
MultipleSeparated
Atoms
• Bands are channels in which electrons move “freely”.
Physics
Devices
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Layers with different band alignments
• • • • • • • • • •
••• • • • • • •
Different Atoms
Different Bandalignments
•• • • • • • • • • ••• • • • • • •
Chain of “blue” and “yellow” atoms
• • ••• • •
Chain of identical “blue” atoms
•• • • •• •
Chain of identical “yellow” atoms
thickness/growth
Ener
gy
Misaligned Bands
Bandstructure Engineering Basics (page 1 of 2)
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Layers with different band alignments
• • • • • • • • • •
••• • • • • • •
Barriers and Wells Wave Functions / Eigenstates
Resonance Energies / Eigenvalues
Bandstructure Engineering Basics(page 2 of 2)
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Tunneling
ResonantTunneling
Diode
Logic / Memory
PhotonAbsorption
Detectors
Quantum WellInfrared Detector
PhotonEmission
Lasers
Quantum CascadeLaser
Transitions / Transport Controlled by DesignA Plethora of Capabilities
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Conduction band diagramsfor different voltages
and the resulting current flow.
Curre
nt
Voltage50nm 1e18 InGaAs7 ml nid InGaAs7 ml nid AlAs20 ml nid InGaAs7 ml nid AlAs7 ml nid InGaAs50 nm 1e18 InGaAs
12 different I-V curves: 2 wafers, 3 mesasizes, 2 bias directions
Basic Operation of aResonant Tunneling Diode
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Bandstructure BasicsElectron Conduction in Solids
RegularlyOrderedAtoms
• Bands are channels in which electrons move “freely”.
• Crystal is not symmetricin all directions!
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Bandstructure BasicsElectron Conduction in Solids
RegularlyOrderedAtoms
• Bands are channels in which electrons move “freely”.• What does “free” propagation really mean?
• Crystal is not symmetricin all directions!
• Orbitals on each atom give electrons different directional behavior!
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Connecting Concepts to Engineering
• • • • • • •• • • •
Atomistic
Curre
nt
Voltage
Concepts
Quantitative Engineering:Design, Analysis, Synthesis
s pzpx yp5x d 2x spin
Basis Sets
Usually considered a deviceThis is also a new material!
Empirical Tight Bindingmakes the connection betweenmaterials and devices!
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.
.
Four increasinglyasymmetricdevices:20/50/20 Angstrom20/50/23 Angstrom20/50/25 Angstrom20/50/27 Angstrom
Vary One BarrierThickness
AlA
s
InG
aAs
InG
aAs
AlA
s
W
InG
aAs
WW
Presented at IEEE DRC 1997, work performed at Texas Instrument, Dallas
Testmatrix-Based Verification (room temperature)Strained InGaAs/AlAs 4 Stack RTD with Asymmetric Barrier Variation
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Why is Nanotechnology Multidisciplinary?Presentation Outline
•How small is a nanometer?•A simple view of traditional disciplines (from an EE perspective)•How do the disciplines meet?•How do traditional EE’s approach Nanotechnology? Moore’s Law•A Multidisciplinary Example - NEMOWhy do we need simulation?NEMO - an example of an industrial multi disciplinary research effortWhat is atomistic bandstructure?
•Another exampleNetwork for Computational Nanotechnology (NCN) and nanoHUB.orgBeing of service to othersA project organizationOn-line simulationInteractive lecturesReal impact
•Are you interested in nanoHUB.org?
27Norfolk State University - Northwestern University - Purdue University - Stanford University - University of Florida - University of Illinois - University of Texas at El PasoNCN
NCNNetwork for Computational Nanotechnology
WWW Graphical User Interface
MiddlewareHardware and Software Management
ApplicationsApplications ApplicationsApplicationsApplications
Academics,Professional,
Teachers,K-12 Students
• Science applications– Electronics– Electromechanics– Bio
• Simulation software– Model resource– Computer resource– Simple interface
• Community building• Remote access• Collaboration• Education• “typical” Web-presence• On-line simulation
28Norfolk State University - Northwestern University - Purdue University - Stanford University - University of Florida - University of Illinois - University of Texas at El PasoNCN
NCNNetwork for Computational Nanotechnology
WWW Graphical User Interface
MiddlewareHardware and Software Management
ApplicationsApplications ApplicationsApplicationsApplications
• Science applications– Electronics– Electromechanics– Bio
• Simulation software– Model resource– Computer resource– Simple interface
• Community building• Remote access• Collaboration• Education• “typical” Web-presence• On-line simulation
Last 12 months:
>16,000 total users
>3,500 simulation users
>94,000 jobs
>30 tools
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The NCN as a ProjectOrganization
ApplicationSoftware
On-line SimulationWeb-EnabledMiddleware
Admin.•Budget•Reports•Events•Highlights
ContentManagement• Courses• Homeworks• Tutorials• Debates• Calendar• Collaboration
Web-Presence
TeraGridNMI
21stCentury
Nano Research• Electronics• Mechanics• Bio
ResearchDeliverables• SimulationTools
• Educational Modules
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The NCN as a Project Organization
Admin.•Budget•Reports•Events•Highlights
ContentManagement• Courses• Homeworks• Tutorials• Debates• Calendar• Collaboration
Web-PresenceNano Research• Electronics• Mechanics• Bio
ResearchDeliverables•
•
The NCN is different from any other NSF (Nano) Center
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The NCN as a ProjectOrganization
ApplicationSoftware
On-line SimulationWeb-EnabledMiddleware
Admin.•Budget•Reports•Events•Highlights
ContentManagement• Courses• Homeworks• Tutorials• Debates• Calendar• Collaboration
Web-Presence
TeraGridNMI
21stCentury
Nano Research• Electronics• Mechanics• Bio
ResearchDeliverables• SimulationTools
• Educational Modules
The NCN is different from any other NSF (Nano) Center
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The NCN as a Project Organization
Admin.•Budget•Reports•Events•Highlights
ContentManagement• Courses• Homeworks• Tutorials• Debates• Calendar• Collaboration
Web-PresenceNano Research• Electronics• Mechanics• Bio
ResearchDeliverables•
•
The NCN is different from any other NSF (Nano) Center
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ContentManagement• Courses• Homeworks• Tutorials• Debates• Calendar• Collaboration
The NCN as a Project Organization
ApplicationSoftware
On-line SimulationWeb-EnabledMiddleware
Admin.•Budget•Reports•Events•Highlights
Web-Presence
TeraGridNMI
21stCentury
Nano Research• Electronics• Mechanics• Bio
ResearchDeliverables• SimulationTools
• Educational ModulesPost-Docs:Purdue:AhmedHeitzingerPradaLiangPartners:G. Li
S/W ExpertsPurdue:McLennanKearnySwaroopClark2xStudents
S/W,H/WExpertsPurdue:GoasguenColby, Stewart,Kennell,Xu, 4 studentsPartners: 2 faculty, 1 staff, 1 student
Web/ContentAdmin.CychoszRiceStephanFleenerMadhavan2 x Students
Admin.ProfessionalsPotrawskiJohnssonHainesFleener2 x students
Project, not Research Work
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Tool Index
1,000 users since 1996
25 new interactive toolssince May 2005
Now >3,500 users 09/2006
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FETToy tool information
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FETToy tool
Tool Tips!Put your cursor over the item and amore elaborate description pops up
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FETToy tool
Tool Tips!
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FETToy - default simulation
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Changing Environmental Variables
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Temperature - an interactive menu
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Lowering the temperature
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Lowering the temperature again
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Interactively comparing results
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Interactive Simulation on the nanoHUB
•Access to simulation toolsEducation:
PN junction,MOSFET,MOSCAP,RTDs,CNTbands,QDs
Research:Schred,Bandstructure Lab,PADRE,nanoMOS,nanowire
•Access to disseminationand outreachinteractive lectures
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Learning Modules:A Modular Content Arrangement
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Interactive Lectures
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Self-Paced Interactive LearningnanoHUB Learning Modules
9 Learning Modules1315 users
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Sampling of Lecture Material
Nano 101•Mark Ratner - “A gentle Introduction to Nanotechnology” 716 users•Mark Hersam - “Intro to Nanometer Scale Science and Techn.” 494 users•Mark Lundstrom - “Moore’s Law Forever?” 191 users
Nano 501•Supriyo Datta - “A Bottom-Up View” 552 users•Gerhard Klimeck - “Bandstructure in Nanoelectronics” 660 users•Ashraf Alam - “On Reliability …” 193 users
Research Seminars•Shekar Borkar - “The future of Moore’s Law” 83 users
Learning Modules•Mark Lundstrom - “Ballistic Nano Transistors” 485 users
Complete Classes•Supriyo Datta - undergraduate and graduate class on NEGF >2000 user
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Annual nanoHUB Usage is Exploding
Simulation users with at least one simulation> 3,500 users> 94,000 simulations (Sept. 2006)
Interactive simulations introducedin April 2005 => 3x increase
Total users = Simulation users + an IP with >15 minute session time> 16,200 users> 3.6 hrs avg session time / user
Interactive presentations introducedin August 2003 => 15x increase
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Annual nanoHUB Usage is Exploding
> 20 tools released last year> 30 more in nanoFORGE queue
How is this possible?⇒Rappture toolkit⇒Workspaces inside a browser
> 250 contributors> 40 % outside of NCN
How is this possible?⇒self-serve nanoHUB
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Publish simulation tools
Your simulator,written in any ofthese languages…
…available to anyone with a web browser
Bring the power of computing…
…to the classroom…to the laboratory…to the masses
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Rappture toolkit
RapptureRuntime
Produces GraphicalUser Interfaces that
look like this
Automatically!
Physics Code
Researcher
<XML> RapptureTool Description
<group id="env"> <number id="temperature"> <about> <label>Ambient temperature</label> </about> <units>K</units> <min>0</min> <default>300K</default> </number> ...
Rappture Rapid Application Infrastructure toolkit www.rappture.org
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Multidisciplinary Researchsome personal views
•Why multidisciplinary research?The societal knowledge has grown to such an extreme that a single personcannot know “everything”.True impact can be achieved by cross-linking knowledge in different areas
•A good multidisciplinary team:Has a few multidisciplinary members - people that know a little in many fieldsHas many specialized members - people that know a lot in a single fieldIs a TEAM: each member makes the success of the others his/her goal!
•Some dangers of multidisciplinary work:Contributions of an individual are not clearly identifyableMakes promotions and tenure process harderWhat am I: electrical engineer? Physicist? Computer Scientist? Neither of them?
Multidisciplinary research without specialized members is in the danger of“pseudo-science”Science must be well-founded
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Are you interested inmulti-disciplinary work?
•Are you interested inSoftware development?User interfaces?Computing hardware?Collaborative software?
Nanoelectronics?Nanomechanics?Nano-medical systems?
=> Join the nanoHUB team
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