A computational search for ductilizing additives to Mo

Scripta Materialia(2005)

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Abstract
The Rice–Thomson parameter has been evaluated as a computational screening tool for identifying ductilizing additives to Mo. Our results support a hypothesis that soluble additives that are hcp in their pure form weaken the Mo bcc lattice against shears in the (110) plane that are associated with bcc-to-hcp transformations.
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Key words
Refractory metals,Ductility,Phase transformations,First-principles electron theory,Rice–Thomson parameter
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