skip to main content
OSTI.GOV title logo U.S. Department of Energy
Office of Scientific and Technical Information

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

Abstract

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.

Authors:
 [1];  [2];  [1]
  1. University of Liverpool
  2. ORNL
Publication Date:
Research Org.:
Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States)
Sponsoring Org.:
USDOE Office of Science (SC)
OSTI Identifier:
1003356
DOE Contract Number:  
DE-AC05-00OR22725
Resource Type:
Journal Article
Journal Name:
Materials Science and Engineering A
Additional Journal Information:
Journal Volume: 400-401; Journal ID: ISSN 0921-5093
Country of Publication:
United States
Language:
English
Subject:
36 MATERIALS SCIENCE; ATOMIC DISPLACEMENTS; DISLOCATIONS; DISTRIBUTION; EDGE DISLOCATIONS; PRISMS; SHEAR; SLIP; STRAINS

Citation Formats

Voskoboinikov, Roman E, Osetskiy, Yury N, and Bacon, David J. Core structure, dislocation energy and Peierls stress for 1/3?11 0? edge dislocations with (0001) and {1 00} slip planes in α-Zr.. United States: N. p., 2005. Web. doi:10.1016/j.msea.2005.03.089.
Voskoboinikov, Roman E, Osetskiy, Yury N, & Bacon, David J. Core structure, dislocation energy and Peierls stress for 1/3?11 0? edge dislocations with (0001) and {1 00} slip planes in α-Zr.. United States. https://doi.org/10.1016/j.msea.2005.03.089
Voskoboinikov, Roman E, Osetskiy, Yury N, and Bacon, David J. 2005. "Core structure, dislocation energy and Peierls stress for 1/3?11 0? edge dislocations with (0001) and {1 00} slip planes in α-Zr.". United States. https://doi.org/10.1016/j.msea.2005.03.089.
@article{osti_1003356,
title = {Core structure, dislocation energy and Peierls stress for 1/3?11 0? edge dislocations with (0001) and {1 00} slip planes in α-Zr.},
author = {Voskoboinikov, Roman E and Osetskiy, Yury N and Bacon, David J},
abstractNote = {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.},
doi = {10.1016/j.msea.2005.03.089},
url = {https://www.osti.gov/biblio/1003356}, journal = {Materials Science and Engineering A},
issn = {0921-5093},
number = ,
volume = 400-401,
place = {United States},
year = {Sat Jan 01 00:00:00 EST 2005},
month = {Sat Jan 01 00:00:00 EST 2005}
}