Topic 8: Computational Work I

Monday, 20 June 2016: 17:30-21:00
Riverside Center (Hyatt Regency)
Prediction of the Lithiation Process of Transition Metal Oxides (Co3O4 and NiO) for Lithium-Ion Batteries from First Principles
Z. Yao, S. Kim (Northwestern University), M. Aykol (Northwestern University, Lawrence Berkeley National Laboratory), Q. Li, J. Wu, V. Dravid, and C. Wolverton (Northwestern University)
Graphite Phase Behavior during Lithium(de)Intercalation
M. Z. Bazant, R. B. Smith (Massachusetts Institute of Technology), Y. Guo (Department of Chemistry, Columbia University), Z. Yu, D. Efetov, J. Wang (Columbia University), P. Kim (Harvard University), and L. Brus (Columbia University)
Shifting the Temperature Distribution within Lithium-Ion Pouch Cells Based on Contact and Bulk Resistance Variations at Its Terminals
A. Rheinfeld (Technical University of Munich (TUM)), S. V. Erhard (TU München, EES), E. Höffer, K. Schmidt (Technical University of Munich (TUM)), and A. Jossen (TU München, EES)
An Efficient Thermal-Electrochemical Simulation of Lithium-Ion Battery (Cancelled)
First Principles Study of the Interfacial Structure Between Spinel LiMn2O4 and Protective Thin Films
R. Warburton (Purdue University), H. Iddir, L. Curtiss, J. W. Elam (Argonne National Laboratory), and J. Greeley (Purdue University)
Electrochemical Li-Ion Batteries Modelisation for EV
A. Falconi (Renault / CEA / Université de Grenoble Alpes), D. Sicsic (Groupe Renault), R. Cornut (CEA-Saclay), and C. Lefrou (Université de Grenoble Alpes / CNRS / LEPMI)
Investigations of Doping and Dissolution in Lithium Transition Metal Oxides Using Density Functional Theory Methods (Cancelled)
A Fundamental Study of Lithium Superoxide in Li-O2 Batteries
K. C. Lau, J. Lu (Argonne National Laboratory), D. Zhai (Argonne national Laboratory), H. H. Wang (Materials Science Division, Argonne National Laboratory), X. Luo, P. Redfern (Argonne National Laboratory), M. Asadi (University of Illinois at Chicago), J. Wen, D. Miller (Argonne National Laboratory), A. salehi-Khojin (University of Illinois at Chicago), L. Curtiss (Argonne National Laboratory), and K. Amine (Chemical Sciences/Engineering Division, ANL)
Chemical-Mechanical Coupling: Stress Effect on Lithiation of Amorphous Si
M. Wang and X. Xiao (Michigan State University)
Materials Design Guidelines for All-Solid-State Batteries
Y. E. Wang, W. D. Richards (Massachusetts Institute of Technology), L. J. Miara (Samsung Electronics), J. C. Kim (Massachusetts Institute of Technology), and G. Ceder (University of California, Berkeley)
A Multiple Particles Model for Super Lithium Ion Capacitor (Cancelled)
Multi-Scale Modeling of Multi-Physics Processes in Lithium Ion Battery Cells
A. Salvadori (University of Brescia, University of Notre Dame) and M. Magri (University of Brescia)
Comparative Study on Experiment and Simulation of Power Prediction of Lithium-Ion Batteries
J. Park, W. A. Appiah, S. Byun, D. Yeon (Hanbat National University), H. J. Kim, T. S. Kim (Sebang Global Battery Co., Ltd.), M. H. Ryou, and Y. M. Lee (Hanbat National University)
Analysis of Li Dendrite Formation on Graphite Anode Based on Realistic Electrode Microstructure Using Numerical Simulation
B. Yan (Shanghai Jiao Tong University), C. Lim (Indiana University Purdue University Indianapolis), L. Yin (University of Illinois, Urbana), and L. Zhu (Indiana University Purdue University Indianapolis)
Atomistic Structural Evolution and Li Trapping Due to Delithiation Rates in Si Electrodes
K. J. Kim, Y. Qi, J. A. Wortman, and S. Y. Kim (Michigan State University)
Explaining Key Properties of Lithiating TiO2-Anatase: A Phase Field Model for Materials with Multiple Phases
N. de Klerk, A. Vasileiadis (Delft University of Technology), R. B. Smith, M. Z. Bazant (Massachusetts Institute of Technology), and M. Wagemaker (Delft University of Technology)