Multiscale Model for Chemical Degradation of Materials

Brandon Wood | 18-FS-038

Executive Summary

We are exploring the feasibility of integrating existing computational modeling tools into a unified framework for modeling chemical degradation of materials to enable future strategies for improving durability of functional and structural materials and to promote understanding of complex reaction chemistry for a variety of energy applications. This study supports Department of Energy goals in energy security, reliability, and resilience.

Publications and Presentations

Wang, B., et al. 2018. "Multiscale Modeling of Interfaces in All-Solid-State Li-ion Batteries." 2018 Bay Area Battery Summit: Building Better Batteries, Berkeley, CA, October 2018. LLNL-POST-759543.

——— . 2018. "Microstructure Effects on Ionic Conductivity of Solid Electrolytes for Li Batteries: A Multiscale Approach." Lawrence Livermore National Laboratory Postdoctoral Poster Symposium. LLNL-POST-755513.