Title: Multiscale modeling of nanostructured electrodes and interfaces in Li-ion batteries

Speaker: Dmitry Bedrov (Department of Materials Science and Engineering, University of Utah)
Time: Oct. 10, 2019, 09:30–11:00 (coffee from 09:00)
Location: Differ, Alexander-zaal

In this talk I will discuss interdisciplinary efforts on multiscale modeling of electrochemical devices undertaken at the Alliance for Computationally-guided Design of Energy Efficient Electronic Materials (CDE3M). Specifically, I will focus on our recent results in modeling components of Li-ion batteries, including solid electrolyte interphase (SEI), SEI/electrolyte interfaces, and nanostructured Si anodes. The coupling of electrochemical and mechanical processes inside electrodes and at electrode/SEI interfaces is one of the key challenges that has to be addressed in order to provide efficient materials-by-design of novel batteries. Most of the current modeling tools only consider these system at the continuum level. We have focused on the development of multiscale modeling tools that allow to couple the atomic, molecular and nanoscale electrochemical and mechanical processes with continuum level modeling. This talk will discuss i) mechanisms of Li-ion transport through bulk SEI and SEI/electrolyte interfaces, ii) mechanical properties of SEI and its failure mechanism under large deformations, and iii) chemical/mechanical coupling during lithiation of nanostructured Si-based electrodes.


191010 ccer seminar dmitry bedrov figure

Dr. Bedrov received his Ph.D. in Chemical & Fuels Engineering in 1999 and has been working in the area of multiscale modeling of materials for more than 20 years in several interdisciplinary multiscale modeling centers in academia and industry. Currently Dr. Bedrov is an Associate Professor in the Materials Science & Engineering Department at the University of Utah. He is the Associate Director of the Collaborative Research Alliance with the Army Research Laboratory for Multiscale Modeling of Electronic Materials. In this Alliance, Dr. Bedrov is the Lead for the Electrochemical Devices area. He has over 150 publications in peer-reviewed journals that have over 6600 citations. His awards include the prestigious Fellowship for Experienced Researchers from German Humboldt Foundation and recognition by the University of Utah for Extraordinary Research Accomplishments.

The CCER seminars are aimed at researchers interested in computational approaches to (energy) research. The seminar is small-scale, typically 15 participants, and interactive, offering lots of room for discussion. If you don't have access to the DIFFER building but would like to attend, just This email address is being protected from spambots. You need JavaScript enabled to view it. .