Thursday, 3 November 2005: 3:15 PM-5:45 PM
208 (Cincinnati Convention Center)

Topical 3 - Multiscale Analysis in Chemical, Materials and Biological Processes (T3)

#559 - Simulations Methods in Materials Processing (T3022)
tba
Cochairs:Marc-Olivier Coppens
David S. Sholl
Chair:Dimitrios Maroudas
3:15 PMMolecular Models of Mcf and Sba-15 and Gas Adsorption: a Molecular Simulation Study
Supriyo Bhattacharya, Benoit Coasne, Francisco R. Hung, Keith E. Gubbins
3:31 PMPatterning Nanoparticles in Structured Block Copolymer Thin Films
Dapeng Cao, Jianzhong Wu
3:47 PMOptimal Porosity Distribution in Nanoporous Catalysts
Marc-Olivier Coppens, Stefan Gheorghiu, Eivind Johannessen
4:03 PMStudy of Geometries and Electronic Properties of Pd and Pd-Ni Alloy Chains on Single-Walled Carbon Nanotubes
Ling Miao, Babu Joseph, Venkat Bhethanabotla
4:19 PMMultiscale Modeling of Melt Infiltration in Random Fibrous Materials
Wenli Zhang, Karsten E. Thompson, Brian S. Mitchell
4:35 PMMolecular Modeling of Catalysis in Molecular Square Nanocavities
Manohar Murthi, Randall Q. Snurr
4:51 PMMultiscale Modeling of Solvent-Cast Sol-Gel Ceramic Films
Stephen E. Rankin, Xin Li
5:07 PMMultiscale Modeling of the Synthesis of Quantum Semiconductor Nanostructures in Templated Media
Borislava Kostova, Georgios Karanikolos, Yannis G. Kevrekidis, T.J. Mountziaris
5:23 PMIsostress Molecular-Dynamics Analysis of the Structural Response of Cubic Metallic Crystals to Hydrostatic Tension
Hadrian Djohari, Frederick Milstein, Dimitrios Maroudas
Sponsor:Topical 3 - Multiscale Analysis in Chemical, Materials and Biological Processes
Cosponsors:Catalysis and Reaction Engineering Division; Computational Molecular Science and Engineering Forum; Materials Engineering and Sciences Division

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