Core structure, dislocation energy and Peierls stress for 1/3?11 0? edge dislocations with (0001) and {1 00} slip planes in α-Zr.

Journal Article · Sat Jan 01 04:00:00 EST 2005 · Materials Science and Engineering A

DOI:https://doi.org/10.1016/j.msea.2005.03.089· OSTI ID:1003356

Voskoboinikov, Roman E ^[1]; Osetskiy, Yury N ^[2]; Bacon, David J ^[1]

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1. University of Liverpool
2. ORNL

Atomic-scale simulations of edge dislocations of the 1/3<11{bar 2}0> (0001) and 1/3<11{bar 2}0> {l_brace}1{bar 1}00{r_brace} slip systems have been carried out using a Finnis-Sinclair-type interatomic potential for {alpha}-zirconium. The distribution of atomic displacements in the dislocation core shows that in this model the edge dislocation in the basal plane dissociates into two Shockley partials whereas the dislocation in the prism plane remains undissociated. The effective core radius and core energy are estimated, and dislocation response to increasing applied shear strain is investigated. The core properties and the critical stress for dislocation glide (Peierls stress) depend sensitively on whether the core extends or not.

• Research Organization: Oak Ridge National Laboratory (ORNL)
• Sponsoring Organization: SC USDOE - Office of Science (SC)
• DOE Contract Number: AC05-00OR22725
• OSTI ID: 1003356
• Journal Information: Materials Science and Engineering A, Journal Name: Materials Science and Engineering A Vol. 400-401; ISSN 0921-5093
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
ATOMIC DISPLACEMENTS
DISLOCATIONS
DISTRIBUTION
EDGE DISLOCATIONS
PRISMS
SHEAR
SLIP
STRAINS