Interphase boundary layer-dominated strain mechanisms in Cu+ implanted Zr-Nb nanoscale multilayers
Interphase boundary layer-dominated strain mechanisms in Cu+ implanted Zr-Nb nanoscale multilayers
Sputter-deposited Zr/Nb nanoscale metallic multilayers with a periodicity of 27 (thin) and 96 nm (thick) were subjected to Cu+implantation with low and high fluences and then studied using various experimental techniques in combination with DFT calculations. After Cu+ implantation, the thinner multilayer exhibited a tensile strain along c-axis in Nb layers and a compressive strain in Zr layers, while the thicker multilayer showed a compressive strain in both layers. The strain is higher in the thin multilayer and increases for higher fluences. We developed a mathematical method for the fundamental understanding of the deformation mechanisms in metallic multilayers subjected to radiation damage. In the model, the cumulative strain within a layer is described as the combination of two contributions coming from the interfacial region and the inner region of the layers. The semi-analytical model predicts that the interfacial strain is dominant and extends over a certain region around the interface. Predictions are well supported by ab-initio calculations which show that in the vicinity of the interface and in the Zr side, vacancies and interstitials (low energy barriers) exhibit high mobility compared to the Nb side, thus resulting in a high recombination rate. As a consequence, less strain occurs in the Zr side of the interface compared to the Nb side. The density and distribution of various types of defects along the ion profile (low and high damaged regions) are obtained by combining DFT results and the predictions of the model.
DFT, Ion implantation, Multilayers, strain, TEM, XRD
317-330
Daghbouj, N.
11efccbe-eb37-4f69-a8c4-1fd21889503e
Callisti, M.
86e03724-aacc-46d5-bccc-4c7025556667
Sen, H. S.
bb372413-c42d-4a9b-8337-bc27ee739f58
Karlik, M.
df29ecf1-6f1e-4713-a15a-82b321804596
Čech, J.
33c05da5-2a77-4f29-8dd5-dc0d59892243
Vronka, M.
52e18a19-62a2-4967-bdd6-eb78733dce47
Havránek, V.
736da580-c407-4fee-b897-606850335608
Čapek, J.
12758533-5b09-44fc-a5b5-5220d7eac633
Minárik, P.
115242ee-3a2c-4738-ad23-9f429cb2c63b
Bábor, P.
ef59023c-5cc4-4a34-939b-967d95b96569
Polcar, T.
c669b663-3ba9-4e7b-9f97-8ef5655ac6d2
1 January 2021
Daghbouj, N.
11efccbe-eb37-4f69-a8c4-1fd21889503e
Callisti, M.
86e03724-aacc-46d5-bccc-4c7025556667
Sen, H. S.
bb372413-c42d-4a9b-8337-bc27ee739f58
Karlik, M.
df29ecf1-6f1e-4713-a15a-82b321804596
Čech, J.
33c05da5-2a77-4f29-8dd5-dc0d59892243
Vronka, M.
52e18a19-62a2-4967-bdd6-eb78733dce47
Havránek, V.
736da580-c407-4fee-b897-606850335608
Čapek, J.
12758533-5b09-44fc-a5b5-5220d7eac633
Minárik, P.
115242ee-3a2c-4738-ad23-9f429cb2c63b
Bábor, P.
ef59023c-5cc4-4a34-939b-967d95b96569
Polcar, T.
c669b663-3ba9-4e7b-9f97-8ef5655ac6d2
Daghbouj, N., Callisti, M., Sen, H. S., Karlik, M., Čech, J., Vronka, M., Havránek, V., Čapek, J., Minárik, P., Bábor, P. and Polcar, T.
(2021)
Interphase boundary layer-dominated strain mechanisms in Cu+ implanted Zr-Nb nanoscale multilayers.
Acta Materialia, 202, .
(doi:10.1016/j.actamat.2020.10.072).
Abstract
Sputter-deposited Zr/Nb nanoscale metallic multilayers with a periodicity of 27 (thin) and 96 nm (thick) were subjected to Cu+implantation with low and high fluences and then studied using various experimental techniques in combination with DFT calculations. After Cu+ implantation, the thinner multilayer exhibited a tensile strain along c-axis in Nb layers and a compressive strain in Zr layers, while the thicker multilayer showed a compressive strain in both layers. The strain is higher in the thin multilayer and increases for higher fluences. We developed a mathematical method for the fundamental understanding of the deformation mechanisms in metallic multilayers subjected to radiation damage. In the model, the cumulative strain within a layer is described as the combination of two contributions coming from the interfacial region and the inner region of the layers. The semi-analytical model predicts that the interfacial strain is dominant and extends over a certain region around the interface. Predictions are well supported by ab-initio calculations which show that in the vicinity of the interface and in the Zr side, vacancies and interstitials (low energy barriers) exhibit high mobility compared to the Nb side, thus resulting in a high recombination rate. As a consequence, less strain occurs in the Zr side of the interface compared to the Nb side. The density and distribution of various types of defects along the ion profile (low and high damaged regions) are obtained by combining DFT results and the predictions of the model.
This record has no associated files available for download.
More information
Accepted/In Press date: 29 October 2020
e-pub ahead of print date: 4 November 2020
Published date: 1 January 2021
Additional Information:
Funding Information:
This study was financially supported by the Czech Science Foundation in the frame of the project 17-17921S and European Regional Development Fund (projects CZ.02.1.01/0.0/0.0/15_003/0000485 and CZ.02.1.01/0.0/0.0/16-019/0000778 ). Also, this work was supported by The Ministry of Education, Youth and Sports from the Large Infrastructures for Research, Experimental Development and Innovations project “ IT4Innovations National Supercomputing Center – LM2015070 ”. The implantation experiments were carried out at the CANAM ( Centre of Accelerators and Nuclear Analytical Methods ) infrastructure LM 2015056 , supported by OP RDE , MEYS , Czech Republic under the project CANAM OP, CZ.02.1.01/0.0/0.0/16_013/0001812 . M.C. acknowledges Innovate UK (reference number: 113072 ) for financial support. Part of the experimental work was also supported by CzechNanoLab project LM2018110 at CEITEC Nano Research Infrastructure, and by ERD CEITEC Nano+ (CZ.02.1.01/0.0/0.0/16 013/0001728) both project funded by MEYS CR.
Funding Information:
This study was financially supported by the Czech Science Foundation in the frame of the project 17-17921S and European Regional Development Fund (projects CZ.02.1.01/0.0/0.0/15_003/0000485 and CZ.02.1.01/0.0/0.0/16-019/0000778). Also, this work was supported by The Ministry of Education, Youth and Sports from the Large Infrastructures for Research, Experimental Development and Innovations project ?IT4Innovations National Supercomputing Center ? LM2015070?. The implantation experiments were carried out at the CANAM (Centre of Accelerators and Nuclear Analytical Methods) infrastructure LM 2015056, supported by OP RDE, MEYS, Czech Republic under the project CANAM OP, CZ.02.1.01/0.0/0.0/16_013/0001812. M.C. acknowledges Innovate UK (reference number: 113072) for financial support. Part of the experimental work was also supported by CzechNanoLab project LM2018110 at CEITEC Nano Research Infrastructure, and by ERD CEITEC Nano+ (CZ.02.1.01/0.0/0.0/16 013/0001728) both project funded by MEYS CR.
Publisher Copyright:
© 2020
Copyright:
Copyright 2020 Elsevier B.V., All rights reserved.
Keywords:
DFT, Ion implantation, Multilayers, strain, TEM, XRD
Identifiers
Local EPrints ID: 454536
URI: http://eprints.soton.ac.uk/id/eprint/454536
ISSN: 1359-6454
PURE UUID: 0a4be3d1-e846-4b9e-a056-2d48de0b4282
Catalogue record
Date deposited: 15 Feb 2022 17:43
Last modified: 18 Mar 2024 03:19
Export record
Altmetrics
Contributors
Author:
N. Daghbouj
Author:
M. Callisti
Author:
H. S. Sen
Author:
M. Karlik
Author:
J. Čech
Author:
M. Vronka
Author:
V. Havránek
Author:
J. Čapek
Author:
P. Minárik
Author:
P. Bábor
Download statistics
Downloads from ePrints over the past year. Other digital versions may also be available to download e.g. from the publisher's website.
View more statistics
