Publications

Articles and reports:

  1. “A generalized multi-dimensional mathematical model for charging and discharging processes in a supercapacitor,” Allu, S., Velamur Asokan, B., Shelton, W. A., Philip, B., and Pannala, S., Journal of Power Sources, 2014.
  2. “Electrode architectures for high capacity multivalent conversion compounds: iron (ii and iii) fluoride,” with Martha, S. K., J. Nanda, et al., RSC Advances, 2014.
  3. “A new open computational framework for highly-resolved coupled 3D multiphysics simulations of Li-Ion Cells,” S. Allu, S. Kalnaus, W. Elwasif, S. Simunovic, and J. Turner, Journal of Power Sources, 2014.
  4. “Formation of Iron Oxyfluoride Phase on the Surface of Nano-Fe3O4 Conversion Compound for Electrochemical Energy Storage,” Hui Zhou, Jagjit Nanda, Surendra K. Martha, Jamie Adcock, Juan C. Idrobo, Loïc Baggetto, Gabriel M. Veith, Sheng Dai, Sreekanth Pannala, and Nancy J. Dudney, The Journal of Physical Chemistry Letters, 2013.
  5. “Neutron Imaging at the Oak Ridge National Laboratory: Present and Future Capabilities,” Physics Procedia, 2013.
  6. “Solid Electrolyte Coated High Voltage Layered-Layered Lithium-rich Composite Cathode: Li 2Mn0. 525Ni0. 175Co0. 1O2,” M. S. Kumar, J. Nanda, Y. Kim, R. Unocic, and N. Dudney, J. Mater. Chem. A, 2013
  7. “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.
  8. “Modeling and Simulation of Battery Systems,” P. P. Mukherjee, S. Pannala, and J. Turner, chapter in Handbook of Battery Materials: Editor C. Daniel. Weinheim, Wiley-VCH Verlag GmbH & Co. KGaA, 2011.
  9. “Computer Aided Engineering of Batteries Effort (ORNL),” DOE VT Annual Report, 2013.
  10. “Parameter Sweep and Optimization of Loosely Coupled Simulations Using the DAKOTA Toolkit,” W. Elwasif, D. Bernholdt, S. Allu, and S. Foley, IEEE CSE, Cyprus, 2012.
  11. “Computer Aided Engineering of Batteries Effort (ORNL),” DOE VT Annual Report, 2012.
  12. “Engine Efficiency Fundamentals – Accelerating Predictive Simulation of Internal Combustion Engines with High Performance Computing,” DOE VT Annual Report, 2012.
  13. “CAEBAT OAS BETA RELEASE V1,” S. Pannala, S. Allu, W. Elwasif, S. Simunovic, D. Bernholdt, and J. Turner, Internal report to CAEBAT partners, 2012.

Presentations:

  1. “Multiscale modeling approach for performance and safety of lithium-ion batteries,” Sreekanth Pannala, John A Turner, Srikanth Allu, Wael R. Elwasif, Sergiy Kalnaus, Srdjan Simunovic, Jay J. Billings, Hsin Wang, Jagjit Nanda, invited presentation at ACS National Meeting, San Francisco, 2014.
  2. “Multiscale Neutron and X-Ray Tomographic Studies on High Capacity Lithium Battery Chemistries,” Nanda et al., invited presentation at ACS National Meeting, San Francisco, 2014.
  3. “Multiscale modeling for performance and safety of lithium-ion batteries,” Sreekanth Pannala, John A Turner, Srikanth Allu, Wael R. Elwasif, Sergiy Kalnaus, Srdjan Simunovic, Jay J. Billings, Hsin Wang, Jagjit Nanda, invited presentation at CNMS imaging workshop, Oak Ridge, 2014.
  4. “Bridging atomistic to continuum scales for designing energy materials: challenges and opportunities,” Invited presentation at IIT Jodhpur, Jodhpur, India, February 8, 2013.
  5. “Hierarchical Models for Batteries: Overview with Some Case Studies,” Invited presentation at AABC (Advanced Automotive Battery Conference), Orlando, February 6-10, 2012.
  6. “Using Uncertainty Quantification to Bridge Atomistic to Continuum Scales for Designing Energy Storage Devices: Challenges and Opportunities,” Invited presentation at 9th Annual NanoTechnology for Defense Conference (NT4D), Bellevue, Washington, October 24 – 27, 2011.
  7. “Bridging atomistic to continuum scales for designing battery chemistry and materials: Challenges and opportunities,” Invited presentation at 242nd ACS National Meeting & Exposition, Denver, Colorado, August 28-September 1, 2011.
  8. “A Multi-scale Modeling Framework for Li-Ion Batteries,” S. Pannala, P. P. Mukherjee, S. Allu, and J. Turner, Invited presentation at the 7th Annual International Conference on Lithium Battery Power, Las Vegas, NV, 2011.
  9. “Bridging atomistic to continuum scales for designing energy materials: challenges and opportunities,” Invited presentation at ASME International Mechanical Engineering Congress and Exposition (IMECE), Vancouver, Canada, Nov. 12‐18, 2010.
  10. “Multiscale/Multiphysics simulation strategy for gas-solids flow reactors,” Invited presentation at Vanderbilt University, September 27, 2010.
  11. “Multiscale and Multiphysics Models for Interfacial and Bulk Processes in Electrochemical Systems”, Invited presentation at Electrochemical Energy Storage beyond Lithium Ion: Computational Perspectives Symposium, ANL, Chicago, Illinois, USA, May 03, 2010.
  12. “Bridging atomistic to continuum scales for designing energy materials: challenges and opportunities,” Invited presentation at Georgia Tech, January 27, 2010.
  13. “Mesoscale Models for Mechanics of Active Materials in Li-Ion Batteries,” with S. Simunovic, A. Stershic, et al., ECS and SMEQ Joint International Meeting, Cancun, 2014.
  14. “A Generalized 3D Multiphysics Model for Li-Ion Intercalation Batteries,” with S. Allu, et al., ECS and SMEQ Joint International Meeting, Cancun, 2014.
  15. “Thermal Management for High-Capacity Large Format Li-Ion Cells,” with H. Wang, K. Kepler, S. Allu, et al., ECS and SMEQ Joint International Meeting, Cancun, 2014.
  16. “Molecular and Electrode Arcitectures for Multivalent Conversion Electrodes,” with Nanda, J., H. Zhou, et al., ECS and SMEQ Joint International Meeting, Cancun, 2014.
  17. “Study of Diffusion Kinetics and Microstructure for FeF3-CF (Carbon-Fiber) 3D Composite Electrodes,” with Zhou, H., S. K. Martha, et al., 225 ECS Meeting, Orlando, 2014.
  18. “Optimization of Tab Placement in Li-Ion Battery Using Multi-Physics Simulations,” S Allu, W Elwasif, S Pannala, S Kalnaus, S Simunovic, and JA Turner, ECS Meeting Abstracts, Oct. 2013
  19. “Understanding the Effect of Temperature Gradients in Modules On Cell Balance Using Coupled Multi-Physics Modeling approach,” S Pannala, S Allu, W Elwasif, S Kalnaus, S Simunovic, JA Turner, ECS Meeting Abstracts, 1229-1229, Oct. 2013
  20. “Three dimensional thermal, electrical and electrochemical modeling of Li-ion batteries,” S Kalnaus, S Allu, W Elwasif, S Simunovic, S Pannala, JA Turner, ECS Meeting Abstracts, 1210-1210, Oct. 2013
  21. “Direct Fluorination of Iron (II, III) Oxide Conversion Electrodes,” Hui Zhou, Jagjit Nanda, Surendra K. Martha, Juan Carlos Idrobo, Loïc Baggetto, Gabriel M. Veith, Sheng Dai, S Pannala, NJ Dudney, J Adcock, ECS Meeting Abstracts, Oct. 2013
  22. “Design of scalable three-dimensional electrode and device architectures with good rate capabilities,” S. Pannala, J. Nanda, and B. Dunn, ECS Spring Meeting, 2013
  23. “Open Architecture Software (OAS) for modeling multi-physics phenomenon of Li-Ion Batteries,” S. Pannala, S. Allu, WR Elwasif, S. Simunovic, and JA Turner, ECS Spring Meeting, 2013
  24. “Computational Framework for Modeling Multi-Physics Phenomenon of Li-Ion Batteries across Various Hierarchies,” S Allu, S Pannala, P Mukherjee, W Elwasif, J Turner, ECS Fall Meeting Abstracts, 1067-1067, Oct. 2012.
  25. “Electrode Architectures for Conversion-Based Cathodes: Case of Iron Fluorides and Oxyfluorides,” SK Martha, J Nanda, JC Idrobo, S Pannala, S Dai, NJ Dudney, J Wang, PV Braun, ECS Fall Meeting Abstracts, 734-734, Oct. 2012.
  26. “A Duality Framework for Optimal Control of Battery Management Systems in Hybrid Electric Vehicles,” 2014 American Control Conference, June, 2014.
  27. “Coupled Multi-Physics Model for Li-ion Battery Cells during Impact,” EUROMAT 2013, European Congress and Exhibition on Advanced Materials and Processes, Spain, Sept. 2013.
  28. “Computational framework for modeling thermal response of Lithium-Ion batteries under abusive conditions,” EUROMAT 2013, European Congress and Exhibition on Advanced Materials and Processes, Spain, Sept. 2013.
  29. “State-of-the-Art Neutron Techniques for Studying Electrochemical Storage Materials and Interfaces,” Beyond Lithium IV, June 2013.
  30. Electrochemical and Transport Behavior of Lithium Ion Battery 3-D Electrode Architectures,” Michael Martin, Partha P Mukherjee, Sreekanth Pannala, Srikanth Allu, Devesh Ranjan, John Turner, Electrochemical Society Meeting, Seattle, May 6-10, 2012.
  31. “A micro-macroscopic volume-averaged model for batteries,” S. Allu, P. Mukherjee, J. Nanda, N. Dudney, S. Martha, and J. Turner, Electronic Materials and Applications 2012, American Ceramic Society, Orlando, January 18-20,
  32. “Particle Morphology and Interactions in the Lithium Ion Battery Electrode,” P. P. Mukherjee, S. Allu, J. Nanda, N. Dudney, and J. A. Turner, ECS Meeting, Boston, MA, October 9 – 14, 2011.
  33. “A Micro‐mesoscopic Model for Li‐Ion Intercalation Batteries,” P. P. Mukherjee, S. Allu, J. Nanda, S. Martha, N. Dudney, and J. A. Turner, Electrochemical Society Meeting, Montreal, Canada, May 1‐6, 2011.
  34. “Electrochemical and Thermal Modeling of Reactions for Lithium‐ion Batteries along with Multidimensional Transport,” C. E. Shaffer, A. Sabau, S. Allu, and P. P. Mukherjee, Electrochemical Society Meeting, Montreal, Canada, May 1‐6, 2011.
  35. “2D and 3D Imaging of Lithium in Porous Electrodes: Neutron Tomography Studies,” J. Nanda, H. Bilheux, K. Willis, S. Voisin, S. Allu, P. P. Mukherjee, G. Veith, and N. Dudney, MRS Spring Meeting, San Francisco, CA, USA, April 25‐29, 2011.
  36. “Multiscale and Multiphysics Models for Interfacial and Bulk Processes in Electrochemical Systems” ORNL User Week, Scientific Basis for Solar Energy and Energy Storage, ORNL, September 13, 2010.
  37. “Computational Approaches for Investigating Electrochemical Energy Storage Materials and Devices,” S. Pannala and B. Sumpter, Poster presentation at SciDAC conference, July, 2010.
  38. “A generalized multi-dimensional mathematical model for charging and discharging processes in a Supercapacitor”, with S. Allu, B. Velamur Asokan and W. A. Shelton, MRS Spring Meeting, San Francisco, California, April 05,
  39. “A Generalized multi-dimensional mathematical model for Li-Ion intercalation batteries”, with Allu, J. Nanda, P. Mukherjee, and W. A. Shelton, ECS Spring Meeting, Vancouver, Canada, April 25, 2010.
  40. “How Can Detailed Modeling in Fuel Cells Be Adapted to Li/Air Batteries?”, P. P. Mukherjee, S. Pannala, and J. A. Turner, Poster presentation, Beyond Lithium-Ion: Computational Perspectives Symposium, Argonne National Laboratory, IL, USA, May 3-4, 2010.
  41. “Thermal and electrochemical behavior of high energy density carbon fiber paper (CFP)-LiFePO4 positive electrodes,” S. K. Martha, J. Nanda, J. Kiggans, A. Kercher, H. Wang, W. D. Porter, E. E. Kalu, and N. J. Dudney, MRS Fall meeting, 2010.
  42. “Solid-Phase Diffusion Modeling in Lithium Ion Batteries”, P. Mukherjee, S. Pannala, S. Allu, J. Nanda, and J. A. Turner,  Oral presentation, Electrochemical Society Meeting, Las Vegas, NV, USA, October 10-15, 2010.

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