NSF Directorate for Engineering | Division of Chemical, Bioengineering, Environmental, and Transport Systems ( CB

1. NSF Directorate for Engineering | Division of Chemical, Bioengineering, Environmental, and Transport Systems (CBET) Transport and Thermal Fluids Cluster Combustion, Fire, & Plasma Systems Program Director - Arvind Atreya - aatreya@nsf.gov Research Impact Focus and Trends Program Outline Examples of Current Research Projects Our goal is to support outstanding engineering science 1

2. Focus is on the forefront of engineering science Contrast to device or process development Combustion: Provides ~85% of the Energy used and has health effects Fossil and biofuels; Products and pollutants Gas kinetics, CFD, sprays, solid-phase synthesis Fire: Safety-driven, fire spread to fire suppression. Plasma: Phenomena and processing All linked by dual importance of chemistry and physics. Program Focus Slide 1 of 2 2

3. Combustion, Fire, andPlasma Systems Program supports: Experimental, theoretical, computer modeling research. NSF’s focus is on engineering science that is at the forefront, in contrast to device or process development. Linked by dual importance of chemistry and physics  FY 2008: $4.7 M/yr: 2 CAREER and ~ 14 Std Awards at ~ $290K/3yr More Program Focus Slide 2 of 2 3

4. 2000 ms 2000 ms 2000 ms 2000 ms nucleation nucleation nucleation Aerosol over Aerosol over Aerosol over roadway/inhalation roadway/inhalation roadway/inhalation condensation condensation condensation 1 1 1 - - - 10 nm 10 nm 10 nm 100 100 100 - - - 1000 nm 1000 nm 1000 nm 500 ms 500 ms 500 ms 500 ms CH CH CH CH 2 2 2 2 OH OH OH OH Free radicals Free radicals Free radicals tailpipe tailpipe tailpipe Exhaust manifold Exhaust manifold Exhaust manifold CH CH CH H H H O O O 3 3 3 2 2 2 50 ms 50 ms 50 ms 50 ms OH OH OH oxidation oxidation oxidation Fractal clusters Fractal clusters Fractal clusters agglomeration agglomeration agglomeration 10 10 10 - - - 30 nm 30 nm 30 nm 1 ms 1 ms 1 ms surface reaction surface reaction surface reaction and coagulation and coagulation and coagulation Intermolecular Intermolecular Intermolecular flame processes flame processes flame processes rearrangement, rearrangement, rearrangement, Soot structure, Soot structure, Soot structure, Particle Particle Particle Optical Optical Optical - - - inception inception inception In In In properties properties properties Dia Dia Dia . = 1 . = 1 . = 1 - - - 2 nm 2 nm 2 nm 1 1 1 ps ps ps PAH formation PAH formation PAH formation 10 ms 10 ms 10 ms 10 ms Precursor Precursor Precursor molecules molecules molecules peroxides peroxides peroxides C C C H H H 2 2 2 3 3 3 CH CH CH OH OH OH CO CO CO 3 3 3 1 ms 1 ms 1 ms 1 ms heptamethynonane heptamethynonane heptamethynonane C C C H H H 16 16 16 34 34 34 Investigating Nano-carbon Particles in the Atmosphere: Formation and Transformation Lighty, Pugmire, Sarofim, Violi, Voth – University of Utah Growth from molecules to soot particles by multiscale combination of: Molecular Dynamics Limited to small time scales, with time steps on the order of a fraction of the vibrational period Kinetic Monte Carlo Unrestricted time scales. Time step determined by the kinetics, ~ms Coarse-grained MD 4 NIRT 0304433

5. For suppressing pool fires, the P.I. predicts multiphase turbulent mixing processes over a wide range of time/length scales Turbulence modeling with reactions has been a grand-challenge problem Here, model large-scale turbulent motion directly by “Large-Eddy Simulation” method: (1) Model small scales stochastically, and (2) Account for interactions among nonlinear turbulence / chemistry / radiation / droplet models Broad impacts are excellent: Researchers collaborate with Sandia, US Navy, & NIST Supercomputer use for the 3-D calculations educates students about high-performance computing. CAREER: High-Fidelity Numerical Modeling & Simulation of Fire Suppression Paul E. DesJardin – University at Buffalo – The State University of New York CBET-0348110 5

6. Making Nanotubes and Nanowires with Flames Stephen D. Tse - Rutgers University Flame-based chemical vapor deposition (CVD) with various catalytic supports, supplemented by electrical force fields to improve uniformity and productivity To assess growth mechanisms, used spontaneous Raman scattering to determine the gas-phase temperature profile and to map CO, C2H2, CH4, H2, and O2 species, and used laser-induced fluorescence to map OH and C2 distributions (a) Well-aligned carbon nanotubes (c) Zinc-oxide connected nanorods (b) Tungsten-oxide nanowires CBET-0522556 6

7. Cyberinfrastructurecan be used to couple data, models, people Just as for nanotechnology, defining cyberinfrastructure as an organizing concept opens unexpected opportunities Some components: Leading-edge computers Networks & Grid-based computation Internet 2.0 and Teragrid Application codes and middleware Simulation-based Engineering and Science” (SBE&S)  Active databases Especially note: Virtual Organizations The C-F-P communities are pushing advanced uses 7

8. Consider various funding opportunities, including CyberInfrastructure  CAREER and Unsolicited awards from CFP program Submission dates: Mid-July(CAREER), September 15 and March 1(Unsol) Requires highest quality based on Intellectual Merit & Broader Impacts About ~15% funded, depending on number of proposals. Cyber-enabled Discovery and Innovation (CDI) Potentially transformative for two or more disciplines Level of work: 2 PI’s, 2 students, 3 yrs or 3 PI, 3 students, PD, 4 yrs $40M for 40 awards in FY2008 Accelerating Discovery in Science and Engineering through Petascale Simulations and Analysis (PetaApps) Applications using the most cutting-edge high-performance computing TeraGrid Computer access – 30K to 10M CPU hours, big memory and storage Apply to teragrid.org, not NSF – Starter awards approved quickly 8