Defect processes in Be12X (X=Ti, Mo, V, W)
File(s)Jackson_2017_Nucl._Fusion_57_086049.pdf (1.48 MB)
Published version
Author(s)
Jackson, M
Burr, PA
Grimes, RW
Type
Journal Article
Abstract
The stability of intrinsic point defects in Be12X intermetallics (where X = Ti, V, Mo or W) are predicted using density functional theory simulations and discussed with respect to fusion energy applications. Schottky disorder is found to be the lowest energy complete disorder process, closely matched by Be Frenkel disorder in the cases of Be12V and Be12Ti. Antitisite and X Frenkel disorder are of significantly higher energy. Small clusters of point defects including Be divacancies, Be di-interstitials and accommodation of the X species on two Be sites were considered. Some di-interstitial, divacancy and X2Be combinations exhibit negative binding enthalpy (i.e. clustering is favourable), although this is orientationally dependent. None of the Be12X intermetallics are predicted to exhibit significant non-stoichiometry, ruling out non-stoichiometry as a mechanism for accommodating Be depletion due to neutron transmutation.
Date Issued
2017-08-01
Date Acceptance
2017-06-23
Citation
Nuclear Fusion, 2017, 57 (8), pp.1-10
ISSN
0029-5515
Publisher
IOP Publishing
Start Page
1
End Page
10
Journal / Book Title
Nuclear Fusion
Volume
57
Issue
8
Copyright Statement
© 2017 Imperial College London. Original content from this work may be used under the terms of the Creative Commons Attribution 3.0 licence. Any further distribution of this work must maintain attribution to the author(s) and the title of the work, journal citation and DOI
Sponsor
United Kingdom Atomic Energy Authority
Identifier
https://iopscience.iop.org/article/10.1088/1741-4326/aa7b41
Grant Number
3000178221
Subjects
Science & Technology
Physical Sciences
Physics, Fluids & Plasmas
Physics
density functional theory
beryllide
beryllium
BERYLLIUM
BLANKET
DAMAGE
FE
CR
cond-mat.mtrl-sci
cond-mat.mtrl-sci
Fluids & Plasmas
0202 Atomic, Molecular, Nuclear, Particle and Plasma Physics
Publication Status
Published
Article Number
086049
Date Publish Online
2017-07-21