213th ECS Meeting - Phoenix, AZ

May 18 - May 22, 2008

PROGRAM INFORMATION
 

G2 - Multiscale Simulations of Electrochemistry Systems - Computational Aspects

Industrial Electrochemistry and Electrochemical Engineering
 

Tuesday, May 20, 2008

Room 106C, 100 Level, Phoenix Convention Center

Morning Session

Co-Chair(s): V. Subramanian and V. Ramani
TimeAbs#Title and Authors
08:40 Introductory Remarks (5 Minutes)
08:45   878   Multiscale Modeling and Design of Electrochemical Systems R. C. Alkire and R. Braatz (University of Illinois)
09:15 Discussion (5 Minutes)
09:20   879   Kinetically-Limited Electrodeposition of Copper on Gold in the Presence of Additives: Multiscale Phenomena during Nucleation and Overgrowth on a Resistive Strip M. Karulkar, M. Willis, R. Braatz and R. C. Alkire (University of Illinois)
09:40 Intermission (20 Minutes)
10:00   880   Kinetic Monte Carlo Simulations of Nucleation and Growth in Electrodeposition L. Guo and P. Searson (Johns Hopkins University)
10:20   881   Kinetic Monte Carlo Simulation of Via Filling : Role of Chloride Ions Y. Kaneko (Kyoto University), Y. Hiwatari (Kanazawa University), K. Ohara and F. Asa (C. Uyemura & Co., Ltd.)
10:40   882   Numerical Simulation of an Electro-deposition Reaction under Two-phase Flow Conditions H. Van Parys (Vrije Universiteit Brussel), T. Nierhaus, S. Dehaeck, J. Van Beeck (Von Karman Institute), J. Deconinck (Vrije Universiteit Brussel) and A. Hubin (Vrije Universiteit Brussel)
11:00   883   Electrochemical Deposition of an Ideal Alloyed Monolayer I. Braems, F. Berthier, R. Tétot (ICMMO) and B. Legrand (CEA)
11:20   884   Multiscale Simulations of Electrodeposition: Effect of Superficial F. Berthier, I. Braems, R. Tétot (ICMMO) and B. Legrand (CEA)
11:40   885   Atomistic Simulation of the Oxygen Reduction Reaction at a Solid-Oxide Fuel Cell Interface H. Turner (University of Alabama), K. Lau (George Washington University) and B. Dunlap (Naval Research Laboratory)
 

Afternoon Session

Co-Chair(s): V. Ramani and V. Subramanian
TimeAbs#Title and Authors
13:35 Introductory Remarks (5 Minutes)
13:40   886   Addressing Challenges in the Simulation of Lithium-Ion Battery Models V. Boovaragavan, V. Diwakar, R. Phillips, H. Seshadri and V. Subramanian (Tennessee Tech University)
14:00   887   Intercalation-induced Stress and Heat Generation inside Lithium-Ion Battery Cathode Particles under Potentiodynamic Control X. Zhang, W. Shyy and A. Sastry (University of Michigan)
14:20   888   Robust Hybrid System Design: Surrogate Model Methodology R. Chandrasekaran and T. F. Fuller (Georgia Institute of Technology)
14:40   889   Modeling Polymer-Electrolyte-Fuel-Cell Gas-Diffusion Layers using a Quasipotential Transformation A. Z. Weber (Lawrence Berkeley National Laboratory) and J. Newman (UC Berkeley, LBNL)
15:00 Intermission (20 Minutes)
15:20   890   Modeling of the Performance of 2-D and 3-D Air Breathing PEM Fuel Cells S. Kilic (Massachusetts Institute of Technology), R. Krishnan, J. Hallmark and J. Jaskie (Motorola Inc.)
15:40   891   Efficient Parallel Algorithm for Fuel Cell Stack Simulation A. Kulikovsky (Research Centre Juelich)
16:00   892   Reactive Molecular Dynamics Applied to Proton Transport in Fuel Cells M. Esai Selvan, D. J. Keffer, B. Edwards, S. Cui, J. Liu and W. Steele (University of Tennessee)
16:20   893   Modeling of H2O2 Formation in PEMFCs C. Chen and T. F. Fuller (Georgia Institute of Technology)
16:40   894   Investigation of the Influence of Gas Distribution on Carbon Corrosion in PEMFC Electrodes. N. Takeuchi (Toyota Motor Eng. & Mfg. North America Inc.) and T. F. Fuller (Georgia Institute of Technology)
17:00   895   Mesoscale Modeling of the Hydrated Morphology of Perfluorosulfonic Acid Membranes D. Wu and S. J. Paddison (University of Tennessee)
17:20 Concluding Remarks (5 Minutes)