Multiscale Modeling, Simulation, and Design 2

Monday, 29 May 2017: 14:00-18:00
Prince of Wales (Hilton New Orleans Riverside)
Chairs:
John N. Harb , Scott Calabrese Barton , Gerardine G Botte , Luis A. Diaz and Venkat R. Subramanian
14:00
1143
Data Science Tools for Incorporating Physics-Based Models into Analysis of Impedance Spectra
M. D. Murbach and D. T. Schwartz (University of Washington)
14:20
1144
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)
14:40
1145
3D Microscopic Simulation of Mediator Supercapacitors
Y. Wang, C. Zhang, X. Qiao, and X. Zhou (University of Miami)
15:00
1146
The Electrochemical Reduction of Organic Acids on Anatase-Type TiO2 Nanoparticles – a Theoretical Approach
G. Juhasz (Tokyo Institute of Technology)
15:20
1147
Atomistic Simulations of Ionic Liquid and Polymer Electrolytes: From Bulk Phases to Interfacial Behavior
J. W. Lawson and J. B. Haskins (NASA Ames Research Center)
15:40
1148
Ab Initio Simulation and Analysis of the Charge Couples in Rechargeable Batteries and Supercapacitors
X. Zhou and Y. Wang (University of Miami)
16:00
Break
16:20
1149
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)
16:40
1150
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)
17:00
1151
Predicting the Electrochemical Stability of Core-Shell Catalysts from First Principles
S. E. Weitzner and I. Dabo (The Pennsylvania State University)
17:20
1152
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)
17:40
1153
Simulation of the Impact of the Loss of Contact Area in All-Solid-State Battery
H. K. Tian and Y. Qi (Michigan State University)
See more of: F03: Multiscale Modeling, Simulation, and Design
See more of: Electrochemical Engineering
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