Fourth CorroZoom Season 3 Webinar- Chaofang Dong
Fourth CorroZoom Season 3 Webinar - Chaofang Dong
27 March 2023 at 0800 US Eastern
Integrated Multiscale Modeling and Prediction of Corrosion
University of Science and Technology Beijing, China
In the last decade, corrosion modeling has made progress towards the atomic-scale clarification of corrosion mechanisms and the computer-aided designing of advanced materials with good corrosion resistance. This talk focuses on the theoretical methods of integrated calculations and the developments in applications to the study of corrosion. Three specific applications will be presented: first-principles techniques combined with molecular dynamics, peridynamic theory, and the finite element method provide multiscale models to investigate the micro-mechanisms of stress corrosion cracking and hydrogen-induced cracking. The modeling of passivity and passive film breakdown will be discussed elaborately through the transport of point defects and its correlation with the energy level degeneracy. Because corrosion jeopardizes materials longevity and engineering safety, the corrosion rate needs to be predicted to better guide materials selection. Although field exposure experiments are dependable, their prohibitive cost and time-consuming nature make it difficult to obtain a large dataset for machine learning. Here, we propose a strategy called Integrating Ab-initio Calculations with Random Forest to optimize the model, thereby estimating the corrosion rate of Al alloys in diverse environments. For better and efficient development of integrated computation of corrosion, extensive cooperation and powerful data infrastructure are needed by stronger joint efforts in the future.
Chaofang Dong is professor in the National Materials Corrosion and Protection Data Center and Beijing Advanced Innovation Center for Materials Genome Engineering at the University of Science and Technology Beijing (USTB). She has been in Corrosion and Protection Center of USTB for 29 years since her undergraduate studies. She spent one year at UC Berkeley in the US. Her research interests are focused on the study of passivation, pitting and atmospheric corrosion, including multiscale simulation, computation, and micro-mechanism analysis of corrosion. She has been involved in the development of a data-driven rational design strategy, and engineering a robust pathway from simulation analysis, experimental validation to engineering demonstration for the development of corrosion-resistant metals.