Ab Initio Study of Screw Dislocations in Mo and Ta: A new picture of plasticity in bcc transition metals

Preprint

2 November 1999

preprint
Published by arXiv in arXiv

Abstract

We report the first ab initio density-functional study of screw dislocations cores in the bcc transition metals Mo and Ta. Our results suggest a new picture of bcc plasticity with symmetric and compact dislocation cores, contrary to the presently accepted picture based on continuum and interatomic potentials. Core energy scales in this new picture are in much better agreement with the Peierls energy barriers to dislocation motion suggested by experiments.

Keywords

SCREW DISLOCATIONS
TRANSITION METALS
INITIO STUDY
NEW PICTURE
PLASTICITY
AB INITIO
MO AND TA
BCC

All Related Versions

Version 1, 1999-08-06, ArXiv
Version 2, 1999-11-02, ArXiv
Version 3, 1999-12-13, ArXiv
Published version: Physical Review Letters, 84 (7), 1499.

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