Distinguished Research Staff Member
Multiphase Flow Modeling
Working closely with National Energy Technology Laboratory (NETL - http://www.netl.doe.gov) in developing an open-source multiphase flow software for needs in fossil and chemical industry. For more information, please visit: http://mfix.netl.doe.gov. Co-edited a book on “Computational Gas-Solids Flows and Reacting Systems: Theory, Methods and Practice”
Predictive System Simulation Capability for Evaluating Safety and Performance of Batteries
We are developing a predictive system-level (macroscopic) 3D petascale simulation tool based on rigorous averaging procedures to model batteries. This detailed simulation capability will model the coupled multiphysics phenomena (charge and thermal transport; electrochemical reactions; mechanical stresses) across the porous 3D structure of the electrodes (cathodes and anodes) and the solid or liquid electrolyte system while including the nanoscale effects through closures based on resolved quantities. The simulation tool will be validated both at the full-cell level as well as at the secondary particle-level and give an unprecedented capability to study the interplay between the particle-scale effects to the overall performance and the safety of the batteries. This tool fills a critical void in the simulation space and gives a unique capability to model batteries.
Virtual Integrated Battery Environment (VIBE)
We are developing a flexible and scalable computational framework that can integrate multiple physics models at various scales (battery pack, cell, electrodes, etc.) and provide a predictive modeling tool under the auspices of the DOE EERE's CAEBAT (CAE for Batteries) program.
Catalytic Biomass Pyrolysis
We are developing unique computational tools for simulating catalytic pyrolysis of woody biomass with sufficient chemistry, kinetics, and multi-phase hydrodynamics to interpret laboratory and pilot-scale data and evaluate potential barriers to commercial scale-up.
CASL (Consortium for Advanced Simulations of Light Water Reactors)
I am involved in the development of simulation capabilities for thermal-hydraulics and FSI (fluid structure interaction) as part of this energy simulation hub.
· “A new open computational framework for highly-resolved coupled 3D multiphysics simulations of Li-Ion Cells,” with S. Allu, S. Kalnaus, W. Elwasif, S. Simunovic, and J. Turner, Journal of Power Sources, 2014.
· “Real-time optical diagnostics of isothermal graphene growth induced by pulsed chemical vapor deposition,” with A. Puretzky, D. Geohegan, M. Regmi, C. Rouleau, N. Thonnard, J. Readle, and G. Eres, Nanoscale, 2013.
· “CFD Simulations of Circulating Fluidized Bed Risers, Part I: Grid Study,” with T. Li, A. Gel, M. Syamlal and M. Shahnam, Powder Technology, 2013. (accepted for publication)
· “CFD Simulations of Circulating Fluidized Bed Risers, Part II: Evaluation of Differences between 2D and 3D Simulations,” with T. Li and M. Shahnam, Powder Technology, 2013. (accepted for publication)
· “Neutron Imaging at the Oak Ridge National Laboratory: Present and Future Capabilities,” Physics Procedia, 2013.
· “A generalized multi-dimensional mathematical model for charging and discharging processes in a Supercapacitor”, with S. Allu, B. Velamur Asokan, B. Philip, and W. A. Shelton, submitted to Electrochimica Acta, July 2013.
· “Solid Electrolyte Coated High Voltage Layered-Layered Lithium-rich Composite Cathode: Li1. 2Mn0. 525Ni0. 175Co0. 1O2,” with M. S. Kumar, J. Nanda, Y. Kim, R. Unocic, and N. Dudney, J. Mater. Chem. A, 2013
· “The AMP (Advanced MultiPhysics) Nuclear Fuel Performance Code,” with Clarno, K. T.; Philip, B.; Cochran, W. K.; Sampath, R. S.; Allu, S.; Barai, P.; Simunovic, S.; Berrill, M. A.; Ott, L. J.; Dilts, G. A.; Mihaila, B.; Yesilyurt, G.; Lee, J. H.; Banfield, J. E., Nuclear Engineering and Design, 2012.
· “Anomalous Discharge Product Distribution in Lithium-Air Cathodes,” with Nanda J., H. Bilheux, S. Voisin, G. Veith, R. Archibald, L. Walker, S. Allu, K. Willis, and N. Dudney, Journal of Physical Chemistry C, 2012.
· “Incremental Growth of Short SWNT Arrays by Pulsed Chemical Vapor Deposition,” with A. A. Puretzky, D. B. Geohegan, J. J. Jackson, G. Eres, C. M. Rouleau, K. L. More, N. Thonnard, and J. D. Readle, Small, 2012.
· “Open-source MFIX-DEM software for gas-solids flows: Part I – Verification,” with R. Garg, J. E. Galvin, and T. Li, Powder Technology, 2012.
· “Open-source MFIX-DEM software for gas-solids flows: Part II – Validation,” with T. Li, J. E. Galvin, and R. Garg, Powder Technology, 2012.
Link to CV for a detailed list.
Phone: (865) 574-3129 or (865) 617-9612 (Cell Phone)
Fax: (865) 241-4811
Computer Science and Mathematics Division
Oak Ridge National Laboratory
P.O.Box 2008, Bldg 5700
Oak Ridge, TN 37831-6164
For FEDEX: Use "One Bethel Valley Road" instead of "P.O. Box"