Supplementing Advanced Coatings Design with In Silico Atomistic Modeling

Case Study: Understanding the Corrosion Mechanism in Chrome Coatings

The harsh environments that automobiles operate in places a great deal of stress on the metal parts that they are made from. As a result, we rely on coatings on these parts to extend their lifetime and ensure they don’t break when we need them most. However, until recently it was difficult for scientists to get a clear picture of what was causing degradation in these coatings (and the metal parts themselves) at the fundamental level – the interactions between the coating atoms themselves and the surrounding environment.

Atotech, a leader in automobile coatings, realized the benefit of augmenting their wet lab coating research with in silico modeling to better understand the atomistic interactions which led to coating degradation. Using BIOVIA Materials Studio, Atotech scientists were able to elucidate the mechanism of their coating degradation and provide a potential path forward for future research backed by data-driven decisions.