Identification and morphology of point defect clusters created in displacement cascades in α-zirconium

R. E. Voskoboinikov; Yu N. Osetsky; D. J. Bacon

doi:10.1016/j.nimb.2005.08.167

Identification and morphology of point defect clusters created in displacement cascades in α-zirconium

R. E. Voskoboinikov, Yu N. Osetsky, D. J. Bacon

Research output: Contribution to journal › Article › peer-review

20 Scopus citations

Abstract

Atomic scale computer simulation of high-energy displacement cascades in α-zirconium has been carried out for a wide range of primary knock-on atom energy (10-25 keV) and temperature (100-600 K). A large number of vacancy and self-interstitial atom (SIA) clusters of various shapes and sizes was generated in more than 240 cascades. In spite of the variety of cluster structures, they can be categorized into three distinct configurations for vacancy and SIA clusters. Internal atom arrangements for all point defect clusters have been established and the type of stacking faults that can be assigned to vacancy clusters identified. The explanation of different relaxation patterns of prismatic vacancy loops occupying either even or odd number of neighbouring close-packed planes is suggested. Transformation of the pyramid-like vacancy cluster with a basal-plane extrinsic fault into prismatic vacancy loop is considered.

Original language	English
Pages (from-to)	530-533
Number of pages	4
Journal	Nuclear Instruments and Methods in Physics Research, Section B: Beam Interactions with Materials and Atoms
Volume	242
Issue number	1-2
DOIs	https://doi.org/10.1016/j.nimb.2005.08.167
State	Published - Jan 2006

Funding

This research was supported by grant FIKS-CT-2001-00137 (‘SIRENA’) from the Council of the European Commission and by contract T27L92-F56398 with Electricité de France.

Keywords

Extrinsic stacking fault
Intrinsic stacking fault
Molecular dynamics
Point defect cluster

Access to Document

10.1016/j.nimb.2005.08.167

Cite this

@article{5987951a16d94f2496c6df308e9bc117,

title = "Identification and morphology of point defect clusters created in displacement cascades in α-zirconium",

abstract = "Atomic scale computer simulation of high-energy displacement cascades in α-zirconium has been carried out for a wide range of primary knock-on atom energy (10-25 keV) and temperature (100-600 K). A large number of vacancy and self-interstitial atom (SIA) clusters of various shapes and sizes was generated in more than 240 cascades. In spite of the variety of cluster structures, they can be categorized into three distinct configurations for vacancy and SIA clusters. Internal atom arrangements for all point defect clusters have been established and the type of stacking faults that can be assigned to vacancy clusters identified. The explanation of different relaxation patterns of prismatic vacancy loops occupying either even or odd number of neighbouring close-packed planes is suggested. Transformation of the pyramid-like vacancy cluster with a basal-plane extrinsic fault into prismatic vacancy loop is considered.",

keywords = "Extrinsic stacking fault, Intrinsic stacking fault, Molecular dynamics, Point defect cluster",

author = "Voskoboinikov, {R. E.} and Osetsky, {Yu N.} and Bacon, {D. J.}",

year = "2006",

month = jan,

doi = "10.1016/j.nimb.2005.08.167",

language = "English",

volume = "242",

pages = "530--533",

journal = "Nuclear Instruments and Methods in Physics Research, Section B: Beam Interactions with Materials and Atoms",

issn = "0168-583X",

publisher = "Elsevier",

number = "1-2",

}

Identification and morphology of point defect clusters created in displacement cascades in α-zirconium. / Voskoboinikov, R. E.; Osetsky, Yu N.; Bacon, D. J.
In: Nuclear Instruments and Methods in Physics Research, Section B: Beam Interactions with Materials and Atoms, Vol. 242, No. 1-2, 01.2006, p. 530-533.

Research output: Contribution to journal › Article › peer-review

TY - JOUR

T1 - Identification and morphology of point defect clusters created in displacement cascades in α-zirconium

AU - Voskoboinikov, R. E.

AU - Osetsky, Yu N.

AU - Bacon, D. J.

PY - 2006/1

Y1 - 2006/1

N2 - Atomic scale computer simulation of high-energy displacement cascades in α-zirconium has been carried out for a wide range of primary knock-on atom energy (10-25 keV) and temperature (100-600 K). A large number of vacancy and self-interstitial atom (SIA) clusters of various shapes and sizes was generated in more than 240 cascades. In spite of the variety of cluster structures, they can be categorized into three distinct configurations for vacancy and SIA clusters. Internal atom arrangements for all point defect clusters have been established and the type of stacking faults that can be assigned to vacancy clusters identified. The explanation of different relaxation patterns of prismatic vacancy loops occupying either even or odd number of neighbouring close-packed planes is suggested. Transformation of the pyramid-like vacancy cluster with a basal-plane extrinsic fault into prismatic vacancy loop is considered.

AB - Atomic scale computer simulation of high-energy displacement cascades in α-zirconium has been carried out for a wide range of primary knock-on atom energy (10-25 keV) and temperature (100-600 K). A large number of vacancy and self-interstitial atom (SIA) clusters of various shapes and sizes was generated in more than 240 cascades. In spite of the variety of cluster structures, they can be categorized into three distinct configurations for vacancy and SIA clusters. Internal atom arrangements for all point defect clusters have been established and the type of stacking faults that can be assigned to vacancy clusters identified. The explanation of different relaxation patterns of prismatic vacancy loops occupying either even or odd number of neighbouring close-packed planes is suggested. Transformation of the pyramid-like vacancy cluster with a basal-plane extrinsic fault into prismatic vacancy loop is considered.

KW - Extrinsic stacking fault

KW - Intrinsic stacking fault

KW - Molecular dynamics

KW - Point defect cluster

UR - http://www.scopus.com/inward/record.url?scp=28544435636&partnerID=8YFLogxK

U2 - 10.1016/j.nimb.2005.08.167

DO - 10.1016/j.nimb.2005.08.167

M3 - Article

AN - SCOPUS:28544435636

SN - 0168-583X

VL - 242

SP - 530

EP - 533

JO - Nuclear Instruments and Methods in Physics Research, Section B: Beam Interactions with Materials and Atoms

JF - Nuclear Instruments and Methods in Physics Research, Section B: Beam Interactions with Materials and Atoms

IS - 1-2

ER -

Identification and morphology of point defect clusters created in displacement cascades in α-zirconium

Abstract

Funding

Keywords

Access to Document

Other files and links

Fingerprint

Cite this