MS&E Colloquium - Cormack
Date: September 12, 2008 from 2:00 pm to 3:00 pm EDT
Location: 214 S. W. Mudd
Contact: For further information regarding this event, please contact Chad Gurley by sending email to cg2029@columbia.edu .
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Atomistic Computer Simulations of Ceramics and Glass

 

Alastair N. Cormack

Kazuo Inamori School of Engineering

NY State College of Ceramics

Alfred University

 

 

Over the past few decades, computer simulation techniques have been developed as both a complement and a supplement to experimental probes of atomic scale behavior in solids.  In this seminar, we will describe the application of such techniques to a diverse range of phenomena in both oxide materials, both crystalline (ceramics) and non-crystalline (glasses).

 

After a brief introduction and overview, we will illustrate the wide range of problems which can be addressed through the following examples: (i) comparison and contrast of point defect interactions in Sr-doped zirconia and Gd-doped ceria; (ii) calculation of elastic moduli in silicate glasses and the straining to fracture in vitreous silica; and (iii) the adsorption of water on the surface of bioactive glasses.   Each example uses a different computer simulation technique, highlighting the point that the best technique to be employed depends on the nature of the problem to be tackled.