Computational Materials Design and Mechanisms Understanding I

Monday, October 12, 2015: 14:00-16:15
101-B (Phoenix Convention Center)
Chairs:
Anton Van der Ven and Shyue Ping Ong
14:00
Welcoming Remarks
14:15
144
(Invited) Probing Oxygen Activities and Their Effects on Cation Migration in Li Rich Mn Rich Layered Oxides
S. Meng (University of California San Diego)
14:55
145
Atomic Structure Evolution during First Charge of Layered-Layered Composite Lithium Ion Battery Cathode Materials
H. Iddir (Materials Science Division, Argonne National Laboratory), J. R. Croy (Argonne National Laboratory), K. G. Gallagher (Joint Center for Energy Storage Research), C. Johnson (Joint Center for Energy Storage Research (JCESR), Argonne National Laboratory), R. Benedek (Argonne National Laboratory), and M. Balasubramanian (Advanced Photon Source, Argonne National Laboratory)
15:15
146
Modeling of LiFePO4 Charging/Discharging Dynamics Based on the Many-Unit Concept: Validation Against Operando XRD Data
C. Delacourt (Laboratoire de Reactivite et Chimie des Solides), M. Farkhondeh, M. Pritzker (University of Waterloo), and M. Fowler (University of Waterloo)
15:35
147
Mesoscale Modeling of Phase Transformations in Layered Intercalation Materials
M. Radin (University of California, Santa Barbara) and A. Van der Ven (University of California Santa Barbara)
15:55
148
Particle-Level Electrochemical Simulation of Phase-Separating Li Intercalation Cathode
B. Orvananos (University of Michigan), H. C. Yu (University of Michigan), A. Abdellahi (Massachusetts Institute of Technology), R. Malik, C. P. Grey (University of Cambridge), G. Ceder (Massachusetts Institute of Technology), and K. Thornton (University of Michigan)
See more of: A02: Batteries - Theory, Modeling, and Simulation
See more of: Batteries and Energy Storage
<< Previous Session | Next Session >>