| 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. |
Multiscale Modeling of Cyclization Effects in Drying Sol-Gel Silica Films
Xin Li, Department of Chemical and Materials Engineering, University of Kentucky, 177 F. Paul Anderson Tower, Lexington, KY 40506 and Stephen E. Rankin, Department of Chemical and Materials Engineering, University of Kentucky, 159 F. Paul Anderson Tower, Lexington, KY 40506 |
Molecular Modeling of the Creation of Novel, Ultra-Thin, Nano-Porous Layers and Supported Membranes Using Chemical Vapor Deposition
John B. Moloney1, Thomas C. McDermott2, Damian A. Mooney3 and J. M. D. MacElroy2, (1)School of Chemical and Bioprocess Engineering, University College Dublin, Belfield Campus, Dublin 4, Ireland, (2)School of Chemical and Bioprocess Engineering, University College Dublin, UCD Engineering and Materials Science Centre, Belfield, D4, Dublin, Ireland, (3)School of Chemical & Bioprocess Engineering, University College Dublin, Belfield Campus, Dublin, Ireland |
Atomic-Scale Analysis Of Structural And Mechanical Properties Of Ultra-Low-Dielectric-Constant Mesoporous Amorphous Silica Films
M. Rauf Gungor, Department of Chemical Engineering, University of Massachusetts, 686 N Pleasant Str., Amherst, MA 01003, James J. Watkins, Department of Polymer Science and Engineering, University of Massachusetts, 120 Governors Dr., Amherst, MA 01003 and Dimitrios Maroudas, Department of Chemical Engineering, University of Massachusetts, 686 N Pleasant Str., Amherst, MA 01003 |
Molecular Insight Into The Pathway To Crystallization Of Aluminium
Jerome P. Delhommelle, Department of Chemical Engineering, University of South Carolina, 301 South Main Street, Columbia, SC 29208 and Caroline Desgranges, Chemical Engineering, University of South Carolina, 301 South Main Street, Columbia, SC 29208 |
Computational Investigation Of Bismuth Pyrochlores
Aravind R. Asthagiri, Chemical Engineering, University of Florida, 427 ChE Bldg, PO Box 116005, Gainesville, FL 32611 and Beverly Brooks Hinojosa, Chemical Engineering, University of Florida, Gainesville, FL 32611 |
Correlating The Diameter, Energy, And Composition Of Single-Walled Metal-Oxide Nanotubes: A Computational, Experimental, And Theoretical Study
Suchitra Konduri, Sanjoy Mukherjee and Sankar Nair, School of Chemical & Biomolecular Engineering, Georgia Institute of Technology, 311 Ferst Drive NW, Atlanta, GA 30332-0100 |
Study of Structure and Size of Cdse Quantum Dots
Yenni Cahyana, Division of Chemical and Biomolecular Enginnering, Nanyang Technological University, 62 Nanyang Drive, Singapore, 637459, Singapore and Sang Kyu Kwak, Division of Chemical and Biomolecular Engineering, Nanyang Technological University, 62 Nanyang Drive, Singapore, 637459, Singapore |
|