FY2010 - Oak Ridge National Laboratory

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Director’s R&D Fund— Energy Storage The developments listed above have laid down a foundation not only for successfully finishing the goal set in the original proposal to construct validated multidimensional simulation capability but also for securing follow-on funds to continue this effort on further development of computational capabilities for modeling batteries. Information Shared Mukherjee, P. P., S. Pannala, and J. A. Turner. 2010. “Modeling and Simulation of Battery Systems.” Chapter, Handbook of Battery Materials, C. Daniel, Ed., Wiley-VCH Verlag, Weinheim, Germany. Mukherjee, P. P., S. Pannala, and J. A. Turner. 2010. “How Can Detailed Modeling in Fuel Cells Be Adapted to Li/Air Batteries?” Poster presentation, Beyond Lithium-Ion, Computational Perspectives Symposium, Argonne National Laboratory, Argonne, IL, May 3–4. Mukherjee, P. P., S. Pannala, S. Allu, J. Nanda, and J. A. Turner. 2010. “Solid-Phase Diffusion Modeling in Lithium Ion Batteries.” Oral presentation, Electrochemical Society Meeting, Las Vegas, Oct. 10–15. Nanda, J. 2010. “Micro-Raman Mapping of Cycled Commercial Li 1-x Ni 0.80 Co 0.15 Al 0.05 O 2 Electrodes: New Insights.” Oral presentation, Electrochemical Society Meeting, Vancouver, Canada. Nanda, J. 2010. “Real Time In Situ Spectro-Electrochemistry of a Full Li-Ion Cell in an Edge Configuration.” Invited talk, MRS Spring Symposium, San Francisco. Pannala, S. 2010. “Multiscale and Multiphysics Models for Interfacial and Bulk Processes in Electrochemical Systems.” Electrochemical Energy Storage beyond Lithium Ion: Computational Perspectives Symposium, Argonne National Laboratory, Argonne, IL, May 3. Pannala, S., S. Allu, B. Velamur Asokan, and W. A. Shelton. 2010. “A generalized multi-dimensional mathematical model for charging and discharging processes in a supercapacitor.” MRS Spring Meeting, San Francisco, Apr. 5. Pannala, S., S. Allu, J. Nanda, P. Mukherjee, and W. A. Shelton. 2010. “A generalized multi-dimensional mathematical model for Li-ion intercalation batteries.” ECS Spring Meeting, Vancouver, Canada, Apr. 25. 162
Director’s R&D Fund— General GENERAL 05315 Active Control of Surface Plasmonics with Ferroelectricity Jian Shen, Gyula Eres, Ilia N. Ivanov, Katya Seal, and Zhenyu Zhang Project Description The discovery that light can be squeezed into subwavelength structures has revolutionized conventional optics. These interactions, known as surface plasmons, occur when the conduction electrons at a metal/dielectric interface resonantly interact with external electromagnetic fields. In this regime highly conductive metallic layers become transparent, capable of field concentration, tunable spectral response, and enhanced absorption, and promising dramatic innovations in renewable energy, single molecule spectroscopy, and signal transmission. Discovery and exploration of plasmonic phenomena have been limited to static (passive) structures. However, the most exciting applications of plasmonic phenomena occur in the visible spectral range with active control of the plasmonic response. In this project, we are studying the fundamental mechanisms leading to active control of the plasmonic response in the visible range using ferroelectric materials to create extreme field gradients resulting in a highly nonlinear response at the metal/dielectric interface. The wide bandgap and the highly nonlinear behavior of ferroelectric materials coupled with periodic metal structures offer unique access to surface plasmonic phenomena in the visible range. This project represents the first step toward developing a strong ORNL program for plasmonics research based on integrating advanced materials synthesis capabilities with fundamental understanding of materials requirements for active control of plasmonics. Mission Relevance The purpose of this project is to explore the fundamental mechanisms leading to active control of surface plasmonics in the visible spectral range. This is an unexplored area of plasmonic interactions that prominently features the scientific principles for developing high efficiency third-generation photovoltaic devices. Much of the surface plasmonics research in United States is presently funded through the Defense Advanced Research Projects Agency (DARPA) and the DOE Office of Energy Efficiency and Renewable Energy (DOE EERE), and it is likely that funding will continue in the years to come. Currently, this project team has established a close working relationship with DARPA manager Dr. Dennis Polla, who is very interested in our ideas of studying surface plasmonics. He is considering funding a major nanosensor program at ORNL based on surface plasmonsics. In addition to DARPA and DOE EERE, the potential impact of tunable surface plasmonics in renewable energy implies that this exciting area could expand to become a new ORNL fundamental science program under the new initiatives for energy research program in the DOE Office of Basic Energy Sciences. 163
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NEUTRON SCIENCES ..................
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Introduction INTRODUCTION The Labor
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FY2010 - Oak Ridge National Laboratory

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