Saga MAX fasa og hvernig stöðugleikareikningar hafa leitt til uppgötvunar nýrra fasa

Martin Dahlqvist, dósent í efnisfræði við Linköpings universitet flytur fyrirlesturinn MAX phases: A brief history and how stability predictions guide the discovery of new ones.

Ágrip á ensku

MAX phases - traditionally layered carbides and nitrides that combine the best of metals and ceramics - have evolved from a small set of compounds into a rich and expanding materials family. In recent years, interest has been further boosted by their role as precursor materials for 2D MXenes. This talk will begin with a brief history of their discovery and development, highlighting key milestones in understanding their structure, properties, and chemical diversity. The focus will then shift to how theory, particularly first-principles-based stability predictions, can be used to identify new MAX phases that are both thermodynamically stable and experimentally realizable. Through selected examples, I will illustrate how computation has become an essential tool in materials discovery, bridging the gap between prediction and realization.