2005 Annual Meeting

Session: Simulations Methods in Materials Processing

Chair

Dimitrios Maroudas, University of Massachusetts

Co-Chairs

Marc-Olivier Coppens, Rensselaer Polytechnic Institute
David S. Sholl, Georgia Institute of Technology

Presentations

03:15 PM

(559a) Molecular Models of Mcf and Sba-15 and Gas Adsorption: a Molecular Simulation Study
Supriyo Bhattacharya, Benoit Coasne, Keith E. Gubbins

03:31 PM

(559b) Patterning Nanoparticles in Structured Block Copolymer Thin Films
Jianzhong Wu

03:47 PM

(559c) Optimal Porosity Distribution in Nanoporous Catalysts
Marc-Olivier Coppens, Stefan Gheorghiu, Eivind Johannessen

04:03 PM

(559d) Study of Geometries and Electronic Properties of Pd and Pd-Ni Alloy Chains on Single-Walled Carbon Nanotubes
Ling Miao

04:19 PM

(559e) Multiscale Modeling of Melt Infiltration in Random Fibrous Materials
Wenli Zhang, Karsten E. Thompson, Brian S. Mitchell

04:35 PM

(559f) Molecular Modeling of Catalysis in Molecular Square Nanocavities
Manohar Murthi, Randall Q. Snurr

04:51 PM

(559g) Multiscale Modeling of Solvent-Cast Sol-Gel Ceramic Films
Xin Li

05:07 PM

(559h) Multiscale Modeling of the Synthesis of Quantum Semiconductor Nanostructures in Templated Media
Borislava Kostova, Georgios Karanikolos, T. J. Mountziaris

05:23 PM

(559i) Isostress Molecular-Dynamics Analysis of the Structural Response of Cubic Metallic Crystals to Hydrostatic Tension
Hadrian Djohari, Dimitrios Maroudas, Frederick Milstein