Predicting radiation damage in beryllium
File(s)Bery2.pdf (2.35 MB) Berysupplementary2.pdf (646.16 KB)
Accepted version
Supporting information
Author(s)
Grimes, Robin
Than, Yan Ren
Type
Journal Article
Abstract
Displacement damage in beryllium was predicted as a function of temperature and energy
using molecular dynamics simulations. An key aim of this study was to determine if average
results from large displacement cascades correspond to values predicted by the Kinchin-Pease
(K-P) model. The number of residual defects remaining after 1 ps increased linearly with
primary knock-on atom (PKA) energy from 0.5 keV to 2.5 keV, while the extent of residual
damage was largely temperature independent from 300 K to 1100 K. The same simulation
model was used to predict the directionally averaged probability of displacement as a function
of displacement energy, P(EPKA), and thereby the threshold displacement energy at which
the probability for displacement is 100%, E
1.0
d = 105 eV. There is an excellent correspondence
between the K-P prediction using Ed = E
1.0
d
and the number of residual defects remaining
after the initial recovery phase. Also, by utilising P(EPKA), a modification to the K-P model
is proposed that gives rise to an average model prediction when EPKA < 2E
1.0
d
.
using molecular dynamics simulations. An key aim of this study was to determine if average
results from large displacement cascades correspond to values predicted by the Kinchin-Pease
(K-P) model. The number of residual defects remaining after 1 ps increased linearly with
primary knock-on atom (PKA) energy from 0.5 keV to 2.5 keV, while the extent of residual
damage was largely temperature independent from 300 K to 1100 K. The same simulation
model was used to predict the directionally averaged probability of displacement as a function
of displacement energy, P(EPKA), and thereby the threshold displacement energy at which
the probability for displacement is 100%, E
1.0
d = 105 eV. There is an excellent correspondence
between the K-P prediction using Ed = E
1.0
d
and the number of residual defects remaining
after the initial recovery phase. Also, by utilising P(EPKA), a modification to the K-P model
is proposed that gives rise to an average model prediction when EPKA < 2E
1.0
d
.
Date Issued
2020-11-04
Date Acceptance
2020-08-05
Citation
Philosophical Magazine, 2020, 101 (3), pp.306-325
ISSN
1478-6435
Publisher
Taylor and Francis
Start Page
306
End Page
325
Journal / Book Title
Philosophical Magazine
Volume
101
Issue
3
Copyright Statement
© 2020 Taylor & Francis. This is an Accepted Manuscript of an article published by Taylor & Francis in Philosophical Magazine, available online: http://doi.org/10.1080/09500839.2020.1810353
Identifier
https://www.tandfonline.com/doi/full/10.1080/14786435.2020.1834636
Subjects
Science & Technology
Technology
Physical Sciences
Materials Science, Multidisciplinary
Metallurgy & Metallurgical Engineering
Physics, Applied
Physics, Condensed Matter
Materials Science
Physics
MOLECULAR-DYNAMICS
DEFECT PRODUCTION
DISPLACEMENT
ENERGY
POTENTIALS
CASCADES
METALS
FCC
Materials
01 Mathematical Sciences
02 Physical Sciences
09 Engineering
Publication Status
Published
Date Publish Online
2020-11-04