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   COLLOQUIUM OF THE LABORATORY FOR COMPUTER DESIGN OF MATERIALS
                   School of Computational Sciences
                           (CSI 898-Sec 001)
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     Microstructural Design of Rechargeable Lithium-Ion Batteries

                          Edwin Garcia
            Materials Science and Engineering Laboratory
         National Institnute of Technology, Gaithersburg, MD

The  properties of rechargeable lithium-ion batteries are determined 
by the  electrochemical and kinetic properties of their constituent 
materials as well as  their  underlying microstructure. Microstructural 
parameters such as lithium  manganese oxide particle volume fraction 
and particle size distribution affect the power and energy density of 
the system.  Prediction  of the macroscopic response requires a model 
that incorporates the details of the  microscopic arrangement of
materials and treats pertinent spatial and  crystallographic aspects 
of microstructure. Furthermore, models should account  for coupled 
material effects such as stress development and local concentration  
changes. We have developed a method that uses microscopic information 
and constitutive material properties to calculate the macroscopic 
response of  rechargeable lithium-ion batteries. Previous attempts 
of incorporating  microstructural effects on the the properties of
batteries have used mean-field approaches; such calculations will 
not capture potentially important effects  such as localized electric
shielding, stress development, or heat dissipation. The technique is 
demonstrated for a typical lithium-ion battery microstructure  and 
demonstrates the beneficial effect of  microstructural design on the 
compromise between power density and capacity.
		
                Monday , September 8, 2003
                         4:30 pm
                Room 206, Science & Tech. I

Refreshments will be served at 4:15 PM.
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Find the schedule at http://www.scs.gmu.edu/lcdm/seminar/schedule.html