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National Security Issues
Research Priorities (CTS)Bob Wellek
Deputy Director, CTS / NSFFebruary 28, 2005
ASEE Forum
Chemical & Transport Systems
2
CTS Strategic Objectives:
Nano-Scale Science & Technology
Smart Manufacturing & Processing
Environmentally-Friendly & Energy–Focused Processes & Products
Safety & Security
Major CTS Priority Areas
3
Fundamental Engineering Research is Supported in the following Phenomenological Areas in Support of our Strategic Objectives:
Chemical Processing and Catalysis
Interfacial, Transport, & Separations
Fluid And Multiphase Processing
Thermal Systems
CTS Engineering Approaches
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Catalysis:New catalytic processing routes,environmental protection, sustainability
Heterogeneous & supported homogeneous and biocatalysts
Synthesis of novel compositions and structures; combinatorial method
Characterization (new techniques,combinations, in situ approaches)
Pioneering Modeling, computation, & theory
Catalysis and Bio-CatalysisSlide 1 of 2
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Advanced Materials Processing:Synthesis of thin films (sensors, semiconductors, devices)
Surface modification (functionalization, passivation, activation)
Electrochemical Processing andElectrochemistry:
Fuel cells--including electrocatalysts
Electrodeposition
Catalysis and Bio-CatalysisSlide 2 of 2
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Si Si
SiOOOO
OOSi Si
SiOOOO
OO
Research Focus:• Goal: Develop model systems to
help understand metal | metal oxide interfaces of importance for catalysis, electronics, sensor applications
• Surface science experiments and first principles computations used in direct combination
• Early results indicate that Si-O-M and Si-M interactions can each be modeled using this system
Education Focus• Currently employing molecular
reaction engineering (MRE) focus in UG thermodynamics and kinetics courses
• With H.S. Fogler, developed web module for MRE calculations
:
Si4 spherosiloxane adsorbed on Pd(111) through Si atom
http://www.engin.umich.edu/~cre/web_mod/quantum/index.htm
Website animation; students compute DHRxn, KEQ, EA for this reaction
(graphics prepared using Spartan)
Will Medlin - - University of Colorado
CAREER: Modeling Metal-SiO2 Interfaces Using Spherosiloxanes Adsorbed on Metal Single Crystals
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Process & Reaction Engineering
Electrochemical systemsDevelopment of Fuel Cells – concepts involved in the furtherance of hydrogen economy
Reactors used in microelectronics manufacturing: CVD, plasma reactors
Electron Beam CVD for manufacturing nano-materials and devices
Plasma co-deposition of nano-particles for mixed-phase thin films
Produce nano-particles in plasma micro-reactors
Slide 1 of 2
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Process & Reaction Engineering
Fundamental Process Control AlgorithmsControl systems for plant security
Model predictive control
Robust, adaptive, etc.
Design and retrofit of sensor networks
Sensor networks
Fundamental Process Design Methodology
Design of Molecules – new tailor-made
Micro-Reactors
Slide 2 of 2
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Fabrication of compound semiconductor devices on flexible polymeric substrates by low temperature processing technologyPotential applications: transistors, sensors, and solar cells
Mask Design for the Interdigital Micromixer
Cover
300 nm Aluminum
2
1mm Silicon Substrate
100 nm Gold
300 nm Aluminum
2
1mm Silicon Substrate
100 nm Gold
2 Batch
Micromixer
AFM images of CdS nanoparticles produced from low reactant concentration without surfactant
PDMS Interdigital Micromixer
Micromixer Channel
Width Channel Depth
Channel Length
(micrometers) (micrometers) (micrometers) Generation
I 100 50 100 Generation
II 40 40 125
CAREER: Process Engineering of Chemical Bath Deposition: A Soft Solution Route to Flexible Electronics
Chih-hung Chang - Oregon State University
Batch
Micromixer
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Interfacial, Transport, & Thermodynamics
Advanced Materials Processing
Functional / Smart Materials for NovelManufacturing Applications
Directed- and Self-Assembly of NovelSurfactant-Based Films & Composites
Polymer Micro- and Nanostructures
Slide 1 of 2
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Interfacial, Transport, & Thermodynamics
Nano-technology & Bioprocessing“Converging Technologies”
Nano-materials for Sensors(Health & Security)
Drug Delivery & Bio-sensing
Environmental TechnologiesPollution Prevention at the Source
Slide 2 of 2
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Separation and Purification Processes
Innovation in Chemical and Materials Processes
Environmental: removal of waste materials
Energy: fuel-cell membranes
Specialty chemicals: increased resolution
Biochemical SeparationsElectrophoretic separations of DNA
Charged membranes for separating proteins
13Gold metal dots on silica surface for DNA separation.
Micro-scale separations utilizingnanotechnology and microfluidicsoffer solutions to a variety of problemsin medical diagnostics, proteomics, sensing, and related areas.
Gold metal “dots” are deposited onsilicon to form a 2D medium forseparating DNA molecule using electrophorsis
Separation is controlled by adjustingmicrostructure of 2D medium
Electrophoretic Separation of Long DNA Moleculeswith High Resolution at the Nanoscale Dimension
V. Samuilov - SUNY Stony Brook
(CTS-0103470)
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Particulate & Multiphase ProcessingSlide 1 of 2
Microstructured Materials Synthesis and Processing
ColloidsSelf assemblyDirected assemblyEngineered particles)
Particle TechnologyFluidizationGranular flowsSuspensionsDiagnostics
Modeling and SimulationDNSMulti-fluid flowsSuspensionsMagneto-rheological fluids
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Particulate & Multiphase ProcessingSlide 2 of 2
BioengineeringBio-separations
Transport in bio-systems
Clinical diagnostics and therapeutics
Civil InfrastructureSediment transport in rivers
Natural flows
Environmental
16Conway, Shinbrot and Glasser, Nature, v.431, 433-437, (2004)
Mallock, Proc.Roy. Soc, 1888
Taylor, Proc. Roy. Soc, 1923
Djeridi et al, Expts. In Fluids, 1999
Taylor, Proc. Roy. Soc, 1923
Fluid Instability
Granular Instability
Particle Image Velocimetry
A Taylor Vortex Analogy in Granular Flows
Instabilities & Waves in Sheared Granular Materials
CTS-0200821
Troy Shinbrot and Ben Glasser - Rutgers University
air
h
dVU
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Fluid Dynamics, & Hydraulics
Complex FluidsMolecular dynamics simulations
DNA
Rheology
Instability
Physics of polymer solutions)
Micro/Nano Scale FlowsMicro-fluidics
Biomedical micro-devices
Effects of nano-scale inclusions on rheological properties)
Environmental & Bio-fluid MechanicsFlows in biomedical assistive devices
Urban fluid mechanics
Slide 1 of 2
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Fluid Dynamics, & Hydraulics
Waves and HydraulicsWave-sea bed interactionsTsunamisWave-structure interactionsBreaking wavesCavitation-induced flow instabilitiesSediment transport
General Fluid MechanicsDroplet dynamicsGravitational plumesGas-liquid interfacesInsect flight
Compressible FlowInstabilityHyper-sonics
Turbulence
Slide 2 of 2
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Combustion and Plasma Systems
EnvironmentFine particulate matterMercury and other metalsMulti-pollutant interactionsHydrogen formation via combustionCombustion uses for hydrogenPlasma cleanupClimate change mitigation)
SecurityEnergy securityReduced dependence on imported oilDomestic fuel combustion (biomass, H2, etc.)Gasification as sub-stoichiometric combustionEnergy efficiency improvementsHomeland security (micro-combustion; new sensors)
Slide 1 of 2
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Combustion and Plasma Systems
Public SafetyFire chemistry and physicsWildland/urban interfaceFacilities and transportationAttacks such as World Trade CenterHeterogeneous combustionWind effectsSensorsPlasma sterilization)
ManufacturingNew nano-materialsImproved manufacturing ,e.g., oxy-fuel combustion Biomedical applications of plasmas:
Atmospheric pressure plasma processing
Slide 2 of 2
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• Property/monetary loss from fire: at least 1% of domestic product
• Existing fire protection methods prescriptive• Scientifically based standards needed• Goal – develop performance metrics for fire suppression
design in collaboration with government –NIST, SNL, ONR• Train workforce to use numerical fire suppression tools and
establish fire science curriculum
Motivation and Impact
Challenges and Approach• Need to predict multiphase turbulent mixing
processes over wide range of time/length scales– impossible to simulate from first principles
• Multi-scale modeling approach– Directly simulate large scale turbulent
motion– Model small scales using stochastic
descriptions– Account for non-linear turbulence-
chemistry-radiation-droplet interactions• Validate using NRL & SNL experiments
Phys. of Fluids 16:1866 (2004)
P. DesJardinSUNY at Buffalo
CAREER: High Fidelity Numerical Modeling and Simulation of Fire Suppression
CTS-0348110
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Thermal Transport & Thermal Processing
Manufacturing & Materials ProcessingLaser materials interactions
Optical fiber drawing
MEMS processing
Crystal growth
Thin film processing
Nanoscale Transport PhenomenaEnergy conversion devices
Semiconductor devices
Multiscale conduction
Sub-nano second thermal transport
Nanoscale thermal instrumentation
Slide 1 of 3
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Thermal Transport & Thermal Processing
High heat flux applications, especially at small length scales
Micro-channel flows
Microelectronics cooling
Complex flow processesTurbulent combustion with radiation
Turbulence with real surface roughness
Magnetic and electric fields
Building flow environments
Phase change (liquid/vapor; olid/liquid)High speed annular flow
Micro-scale condensation and evaporation
Multi-component solidification
Slide 2 of 3
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Thermal Transport & Thermal Processing
Design, control and optimizationInverse design
2nd Law optimization
Active control of convection
PropertiesNon-isotropic conductivity
Thermal properties of thin films
Shape memory alloys
High temperature gas radiative properties
Slide 3 of 3
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The End
Chemical & Transport Systems