Multiscale Modeling, Simulation, and Design 2

Monday, 29 May 2017: 14:00-18:00
Prince of Wales (Hilton New Orleans Riverside)
John N. Harb , Scott Calabrese Barton , Gerardine G Botte , Luis A. Diaz and Venkat R. Subramanian
Data Science Tools for Incorporating Physics-Based Models into Analysis of Impedance Spectra
M. D. Murbach and D. T. Schwartz (University of Washington)
Molecular Dynamics Simulations of Lithium Ion Transport through Solid Electrolyte Interface Layer
A. Muralidharan (Tulane University), M. Chaudhari, S. Rempe (Sandia National Laboratories), and L. R. Pratt (Tulane University)
3D Microscopic Simulation of Mediator Supercapacitors
Y. Wang, C. Zhang, X. Qiao, and X. Zhou (University of Miami)
Revealing SEI Morphology: A Novel Modelling Approach
F. Single (Helmholtz Institute Ulm (HIU), German Aerospace Center (DLR)), B. Horstmann (German Aerospace Center (DLR), Helmholtz Institute Ulm (HIU)), and A. Latz (Helmholtz Institute Ulm (HIU), Institute of Electrochemistry, University of Ulm)
A Reaction-Diffusion Phase-Field Model and Its Application to Lithiated Selenium-Doped Germanium Electrodes
X. Wang (Mississippi State University), L. Zhu (Indiana University Purdue University Indianapolis), C. B. Mullins, M. Meyerson (University of Texas at Austin), and L. Chen (The Mississippi State Univerisity)
Predicting the Electrochemical Stability of Core-Shell Catalysts from First Principles
S. E. Weitzner and I. Dabo (The Pennsylvania State University)
Understanding the Effects of Defects on Phase Transformation Kinetics in Olivine LiFePO4 Particles
L. Hong (Rice University), L. Li (Massachusetts Institute of Technology), S. Jin (Department of Chemistry, UW-Madison), and M. Tang (Rice University)