Materials Design at DSL 2020

February 25, 2020

 

Leading Materials Design scientist, Dr. Erich Wimmer, will be attending at the 6th International Conference on Diffusion in Solids and Liquids (DSL-2020) in Malta from the 29th of June to the 3rd of July, 2020. Read about Dr. Erich Wimmer's exciting research below:

 

 

Title: Mechanistic understanding and quantitative prediction of diffusion from atomistic simulations

 

Abstract:

 

The deep understanding of diffusion mechanisms and quantitative predictions of temperaturedependent diffusion coefficients are now possible at an unprecedented level of detail and accuracy due to the remarkable capabilities of advanced atomistic simulations. This will be illustrated for diverse systems including diffusion processes in Li-ion batteries, fuel cells, hydrogen in steel and zirconium alloys, diffusion of defects in solids, diffusion in molten metals, molten salts and organic liquids, and oxygen diffusion related to corrosion. An overview of current theoretical and computational approaches will show their domains of validity and it will reveal opportunities for improvements and innovation, especially in the context of machine learning

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