I05 - Multi-Scale Materials Theory and Computation

Thursday, 17 October 2019: 13:00-17:20
Room 216 (The Hilton Atlanta)
Chairs:
Brandon C. Wood and Zhiwen Ma
14:00
(Invited) Atomistic Simulations of Hydrogen Storage Materials
X. Zhou, C. Spataru, V. Stavila, M. D. Allendorf (Sandia National Laboratories), S. Kang, T. W. Heo, and B. C. Wood (Lawrence Livermore National Laboratory)
15:00
(Invited) Mesoscale Modeling of Solid-State Hydrogen Storage Mechanisms
T. W. Heo, S. Kang (Lawrence Livermore National Laboratory), X. Zhou (Sandia National Laboratories), R. Shi, and B. C. Wood (Lawrence Livermore National Laboratory)
15:30
Break
15:50
(Invited) Development of a Multiscale Approach for Modeling Fuel Cell Electrodes
L. M. Pant (Lawrence Berkeley National Laboratory), A. Chowdhury (University of California, Berkeley, Lawrence Berkeley National Laboratory), and A. Z. Weber (Lawrence Berkeley National Laboratory)
16:20
(Invited) Activity and Stability of Atomically Dispersed (AD) Fe-C-N ORR Catalyst in Polymer Electrolyte Fuel Cell Environment
R. Ahluwalia, X. Wang (Argonne National Laboratory), L. Osmieri, K. C. Neyerlin (National Renewable Energy Laboratory), and H. T. Chung (Los Alamos National Laboratory)
16:50
(Invited) Performance Modeling of Hydrogen-Production Electrolysis Cells for Scaling up Electrochemical Materials
Z. Ma, L. Witteman (National Renewable Energy Laboratory), H. Boyer (University of South Carolina), J. Gifford (University of Colorado, Boulder), and W. Callahan (National Renewable Energy Laboratory)