A new pathfinding algorithm using Crystal Normal Form identifies diffusionless pathways in TiO2 polymorphs and links their energy barriers to observed kinetic persistence of metastable phases.
J.; Trewartha, A.; Jain, A.; Sutter- Fella, C
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An Investigation in the Kinetic Persistence of TiO$_2$ Polymorphs using Machine Learning Driven Pathfinding in Crystal Configuration Space
A new pathfinding algorithm using Crystal Normal Form identifies diffusionless pathways in TiO2 polymorphs and links their energy barriers to observed kinetic persistence of metastable phases.