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Title: Role of {Sigma}5, (210), [001] CSL boundary on displacement cascade in bcc Fe

Abstract

Molecular dynamics simulations were carried out to understand the role of grain boundaries (GB) on radiation damage in bcc Fe bicrystal. The calculations were performed for a {Sigma}5, (210), [001] symmetric tilt grain boundary for different cases where the primary knock-on atom (PKA) is placed at distances of a{sub csl}, to 15a{sub csl}, from the grain boundary plane. Here, a{sub csl}, is lattice parameter of the coincidence site lattice. Present study shows that the influence of GB on the numbers of surviving defects within a grain is confined within a distance, d{sub opt} < 9a{sub csl}. Our studies also indicate that the grain boundary acts as a reservoir for defects.

Authors:
; ;  [1]
  1. Materials Physics Division, Indira Gandhi Centre for Atomic Research, Kalpakkam 603102, TN (India)
Publication Date:
OSTI Identifier:
22004147
Resource Type:
Journal Article
Journal Name:
AIP Conference Proceedings
Additional Journal Information:
Journal Volume: 1447; Journal Issue: 1; Conference: 56. DAE solid state physics symposium 2011, Kattankulathur, Tamilnadu (India), 19-23 Dec 2011; Other Information: (c) 2012 American Institute of Physics; Country of input: International Atomic Energy Agency (IAEA); Journal ID: ISSN 0094-243X
Country of Publication:
United States
Language:
English
Subject:
36 MATERIALS SCIENCE; 75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND SUPERFLUIDITY; BCC LATTICES; BICRYSTALS; COMPUTERIZED SIMULATION; GRAIN BOUNDARIES; GRAIN SIZE; INTERSTITIALS; IRON; LATTICE PARAMETERS; MOLECULAR DYNAMICS METHOD; RADIATION EFFECTS; SYMMETRY

Citation Formats

Nandi, Prithwish K., Dholakia, Manan, and Valsakumar, M. C. Role of {Sigma}5, (210), [001] CSL boundary on displacement cascade in bcc Fe. United States: N. p., 2012. Web. doi:10.1063/1.4710217.
Nandi, Prithwish K., Dholakia, Manan, & Valsakumar, M. C. Role of {Sigma}5, (210), [001] CSL boundary on displacement cascade in bcc Fe. United States. doi:10.1063/1.4710217.
Nandi, Prithwish K., Dholakia, Manan, and Valsakumar, M. C. Tue . "Role of {Sigma}5, (210), [001] CSL boundary on displacement cascade in bcc Fe". United States. doi:10.1063/1.4710217.
@article{osti_22004147,
title = {Role of {Sigma}5, (210), [001] CSL boundary on displacement cascade in bcc Fe},
author = {Nandi, Prithwish K. and Dholakia, Manan and Valsakumar, M. C.},
abstractNote = {Molecular dynamics simulations were carried out to understand the role of grain boundaries (GB) on radiation damage in bcc Fe bicrystal. The calculations were performed for a {Sigma}5, (210), [001] symmetric tilt grain boundary for different cases where the primary knock-on atom (PKA) is placed at distances of a{sub csl}, to 15a{sub csl}, from the grain boundary plane. Here, a{sub csl}, is lattice parameter of the coincidence site lattice. Present study shows that the influence of GB on the numbers of surviving defects within a grain is confined within a distance, d{sub opt} < 9a{sub csl}. Our studies also indicate that the grain boundary acts as a reservoir for defects.},
doi = {10.1063/1.4710217},
journal = {AIP Conference Proceedings},
issn = {0094-243X},
number = 1,
volume = 1447,
place = {United States},
year = {2012},
month = {6}
}