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Electronic Selection Rules Controlling Dislocation Glide in bcc Metals

Abstract

The validity of the structure-property relationships governing the deformation behavior of bcc metals was brought into question with recent {\it ab initio} density functional studies of isolated screw dislocations in Mo and Ta. These existing relationships were semiclassical in nature, having grown from atomistic investigations of the deformation properties of the groups V and VI transition metals. We find that the correct form for these structure-property relationships is fully quantum mechanical, involving the coupling of electronic states with the strain field at the core of long a/2a/2 screw dislocations.Comment: 4 pages, 2 figure

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    Last time updated on 05/06/2019