Wednesday, November 7, 2007: 3:30 PM-6:00 PM
Room 151 G (Salt Palace Convention Center)

Ceramics (08d)

#485 - 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:Aravind R. Asthagiri
3:30 PMMultiscale Modeling of Cyclization Effects in Drying Sol-Gel Silica Films
Xin Li, Stephen E. Rankin
3:51 PMMolecular Modeling of the Creation of Novel, Ultra-Thin, Nano-Porous Layers and Supported Membranes Using Chemical Vapor Deposition
John B. Moloney, Thomas C. McDermott, Damian A. Mooney, J. M. D. MacElroy
4:12 PMAtomic-Scale Analysis Of Structural And Mechanical Properties Of Ultra-Low-Dielectric-Constant Mesoporous Amorphous Silica Films
M. Rauf Gungor, James J. Watkins, Dimitrios Maroudas
4:33 PMMolecular Insight Into The Pathway To Crystallization Of Aluminium
Jerome P. Delhommelle, Caroline Desgranges
4:54 PMComputational Investigation Of Bismuth Pyrochlores
Aravind R. Asthagiri, Beverly Brooks Hinojosa
5:15 PMCorrelating The Diameter, Energy, And Composition Of Single-Walled Metal-Oxide Nanotubes: A Computational, Experimental, And Theoretical Study
Suchitra Konduri, Sanjoy Mukherjee, Sankar Nair
5:36 PMStudy of Structure and Size of Cdse Quantum Dots
Yenni Cahyana, Sang Kyu Kwak

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