224th ECS Meeting (October 27 – November 1, 2013)

October 27 - November 01, 2013

Integrating State of Charge (SOC) Dependent Material Properties Into Li-Ion Battery Failure Modeling
Yue Qi, General Motors R&D Center

Computational Thermodynamics for Material Design of   Energy Storage Materials
Torsten Markus, Dr., Forschungszentrum Jülich GmbH

Application of the Reaxff Reactive Force Field in Li-Based Rechargeable Batteries
Md Mahbubul Islam, The Pennsylvania State University; Adri C. T. van Duin, The Pennsylvania State University

Parameterization of a Physico-Chemical Model for Lithium-Ion Batteries (Cancelled)

Break

First-Principles Thermodynamic Analysis of Hydrogen‑fluoride Scavenging Cathode Coatings for Lithium-Ion Batteries
Muratahan Aykol, M.Sc., Northwestern University; Chris Wolverton, Materials Science and Engineering Department, Northwestern University

Computational Study On the Properties and Kinetic Behavior of Carbon-Based Li-Ion Batteries Electrolytes Solvents, Unraveling Their Differences (Cancelled)

Influence of Morphology and Microstructure On the Lithium-Ion Battery Electrode Damage Behavior
Pallab Barai, M.S., Texas A&M University; Partha P. Mukherjee, Texas A&M University

Analysis of Long-Range Interaction in Lithium-Ion Battery Electrodes
Malcolm Stein IV, Texas A&M University; Seongkoo Cho, Texas A&M University; Andreas Wiegmann, PhD, Math2Market GmbH, Kaiserslautern, Germany; Partha P. Mukherjee, Texas A&M University

Optimization of Tab Placement in Li-Ion Battery Using Multi-Physics Simulations
Srikanth Allu, Oak Ridge National Laboratory; Wael Elwasif, Oak Ridge National Laboratory; Sreekanth Pannala, Oak Ridge National Laboratory; Sergiy Kalnaus, PhD, Oak Ridge National Laboratory; Srdjan Simunovic, Oak Ridge National Laboratory; John A Turner, Oak Ridge National Laboratory

Analysis of the Influence of Microstructures On the Impedance Response in Lithium-Ion Battery Electrodes
Seongkoo Cho, Texas A&M University; Partha P. Mukherjee, Texas A&M University

Lithium and Rare-Earth Oxides Thermodynamics and Kinetics Studied By Density Functional Theory
Frank Grosse, Paul-Drude-Institut für Festkörperelektronik