Tuesday, November 14, 2006: 12:30 PM-3:00 PM
Yerba Buena Ballroom 5 (Marriott San Francisco)
#242 - Modeling of Inorganic Materials Synthesis and Properties (08D01)
This session features papers reporting modeling and simulation of inorganic materials at any level of detail from quantum to continuum. Of special interest will be papers that provide some insight into the relationships among synthesis conditions, materials structure (dimensions, shape, crystallinity, etc.), and materials properties. Examples of the types of materials that would be of interest include nanoparticles, nanowires, thin films, self-assembled structures, and nanoporous materials such as gels and zeolites.
Chair:	Stephen E. Rankin
CoChair:	David Scholl
12:30 PM	242a		Modeling the Synthesis of Periodic Mesoporous Silicas Claudia Prosenjak, Alessandro Patti, Flor R. Siperstein, Nigel A. Seaton
12:50 PM	242b		Atomistic Simulation of the Formation of Nanoporous Silica Films Via Chemical Vapor Deposition Thomas C. McDermott, M. Kozachok, J. M. D. Macelroy
1:10 PM	242c		Modeling the Formation of Geopolymers John L. Provis, Peter Duxson, Grant C. Lukey, Jannie S. J. van Deventer
1:30 PM	242d		Growth, Structure, and Fractal Scaling in Silica Gels Produced by Polymerization of Aqueous Silicic Acid Sudin Bhattacharya, John Kieffer
1:50 PM	242e		Molecular Dynamics Simulation Study on the Morphological Control of Alpha-Al2O3 Nanoparticles Chunli Li, Phillip Choi
2:10 PM	242f		Strain Energy Minimum and Vibrational Properties of Single-Walled Aluminosilicate Nanotubes Suchitra Konduri, Sanjoy Mukherjee, Sankar Nair
2:30 PM	242g		Multiscale Modeling of Relaxor Ferroelectrics Aravind R. Asthagiri

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