649 Molecular and Mesoscopic Systems: Methods and Applications

Thursday, November 1, 2012: 8:30 AM
327 (Convention Center )
Description:
Advances in the modeling and simulation of molecular and mesoscopic level systems are invited. Interfaces, molecular interactions, coarse graining, mesoscopic simulations and modeling, as well as multiscale approaches are among the areas that are covered by this session.

Sponsor:
Applied Mathematics and Numerical Analysis

Chair:
Roger P. Pawlowski
Email: rppawlo@sandia.gov

Co-Chair:
Roman S. Voronov
Email: rvoronov@seas.upenn.edu


8:30 AM
(649a) Microscopic Modeling of a Two-Species Thin Film Deposition Process Arising in Transparent Conducting Oxide Layer Manufacturing
Jianqiao Huang, Gerassimos Orkoulas and Panagiotis D. Christofides

8:50 AM
(649b) Current-Driven Morphological Evolution of Monolayer-Thick Epitaxial Islands On Elastic Substrates
Dwaipayan Dasgupta, Georgios I. Sfyris and Dimitrios Maroudas

9:10 AM
(649c) Physiochemical Properties of Functional Polymer / Solid Carbon Surface Composites Via Molecular Simulation
Pil Seung Chung, Robert Smith, Sesha Hari Vemuri, Lorenz T. Biegler and Myung S. Jhon

9:30 AM
(649d) Integration of Polymer Electrolyte Membrane Fuel Cell Subcomponent Models Using Reduced Order Methodology
Robert L. Smith, Parag Jain, Lorenz T. Biegler and Myung S. Jhon

9:50 AM
(649e) Modeling Densities and Equilibria of Ice and Gas Hydrate Phases
Angelo Lucia, Heath Henley and Edward Thomas
See more of this Group/Topical: Computing and Systems Technology Division
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