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Multiscale Modeling of Materials

Where

University of Central Florida
4000 Central Florida Blvd.
Orlando, FL 32816

Upcoming

4:30 p.m. Friday, Feb. 8, 2013

Categories

Events,  On Campus | Alumni

Description: In this talk, the methods used in multiscale modeling are reviewed. On the atomistic level, quantum mechanical calculations are needed in order to explain phenomena such as bond formation and breaking, diffusion barriers etc. Moving towards nanoscale, one can use the information obtained using the quantum mechanical calculations as input for classical molecular dynamics or Monte Carlo calculations. In these calculations, the presence of individual atoms is still taken into account, yet the detailed information on the electronic structure is missing. From this point on, several methods such as phase field models and, eventually, finite element methods can be used to obtain the macroscopic properties. Contact: Dr. Klemm Email: klemm@physics.ucf.edu
 
 

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