Topologically close-packed phases in binary transition-metal compounds: matching high-throughput ab initio calculations to an empirical structure map

In steels and single-crystal superalloys the control of the formation of topologically close-packed (TCP) phases is critical for the performance of the material. The structural stability of TCP phases in multi-component transition-metal alloys may be rationalized in terms of the average valence-elec...

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Bibliographic Details
Main Authors: T Hammerschmidt, A F Bialon, D G Pettifor, R Drautz
Format: Article
Language:English
Published: IOP Publishing 2013-01-01
Series:New Journal of Physics
Online Access:https://doi.org/10.1088/1367-2630/15/11/115016