New rate equation model to describe the stabilization of displacement damage by hydrogen atoms during ion irradiation in tungsten

Matic Pecovnik, Etienne Hodille, T Schwarz-Selinger, C. Grisolia, Sabina Markelj

Research output: Contribution to journalArticleScientificpeer-review

Abstract

The effect of deuterium (D) presence on the amount of displacement damage created in tungsten (W) during high-energy W-ion irradiation is investigated. For this purpose, we have performed modelling of experimental results where W was sequentially or simultaneously irradiated by 10.8 MeV W ions and exposed to 300 eV D ions. A novel displacement damage creation and stabilization model was newly developed and introduced into the MHIMS-Reservoir (Migration of Hydrogen Isotopes in MaterialS) code. It employs macroscopic rate equations (MREs) for solving the evolution of solute and trapped D concentrations in the material. The new displacement damage creation and stabilization model is based on spontaneous recombination of Frenkel pairs and stabilization of defects that are occupied by D atoms. By using the new model, we could successfully replicate the measured D depth profiles and D thermal desorption data, where a higher defect concentration was observed when D was present during W irradiation as compared to when no D was present. For this we utilized parameters, which include the number of distinct defect types, the de-trapping energies of their fill-levels, their saturation concentrations and their probability for stabilization if they contain a D during the W-ion irradiation. To successfully replicate the experimental results three distinct defect types were needed with several fill-levels. By comparing the de-trapping energies of the defect fill-levels with data available from the literature, the defect types were identified as single-vacancies, small vacancy clusters and large vacancy clusters. The effect of D presence was found to be largest in single vacancies as its concentration increased by about a factor of three, while the concentration of small vacancy clusters increased by about a factor of two. Large vacancy clusters were found to be largely unaffected as they showed very little increase in concentration when D was present
Original languageEnglish
JournalNuclear Fusion
ISSN0029-5515
DOIs
Publication statusAccepted/In press - 2020
MoE publication typeA1 Journal article-refereed

Cite this

Pecovnik, Matic ; Hodille, Etienne ; Schwarz-Selinger, T ; Grisolia, C. ; Markelj, Sabina. / New rate equation model to describe the stabilization of displacement damage by hydrogen atoms during ion irradiation in tungsten. In: Nuclear Fusion. 2020.
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abstract = "The effect of deuterium (D) presence on the amount of displacement damage created in tungsten (W) during high-energy W-ion irradiation is investigated. For this purpose, we have performed modelling of experimental results where W was sequentially or simultaneously irradiated by 10.8 MeV W ions and exposed to 300 eV D ions. A novel displacement damage creation and stabilization model was newly developed and introduced into the MHIMS-Reservoir (Migration of Hydrogen Isotopes in MaterialS) code. It employs macroscopic rate equations (MREs) for solving the evolution of solute and trapped D concentrations in the material. The new displacement damage creation and stabilization model is based on spontaneous recombination of Frenkel pairs and stabilization of defects that are occupied by D atoms. By using the new model, we could successfully replicate the measured D depth profiles and D thermal desorption data, where a higher defect concentration was observed when D was present during W irradiation as compared to when no D was present. For this we utilized parameters, which include the number of distinct defect types, the de-trapping energies of their fill-levels, their saturation concentrations and their probability for stabilization if they contain a D during the W-ion irradiation. To successfully replicate the experimental results three distinct defect types were needed with several fill-levels. By comparing the de-trapping energies of the defect fill-levels with data available from the literature, the defect types were identified as single-vacancies, small vacancy clusters and large vacancy clusters. The effect of D presence was found to be largest in single vacancies as its concentration increased by about a factor of three, while the concentration of small vacancy clusters increased by about a factor of two. Large vacancy clusters were found to be largely unaffected as they showed very little increase in concentration when D was present",
author = "Matic Pecovnik and Etienne Hodille and T Schwarz-Selinger and C. Grisolia and Sabina Markelj",
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New rate equation model to describe the stabilization of displacement damage by hydrogen atoms during ion irradiation in tungsten. / Pecovnik, Matic; Hodille, Etienne; Schwarz-Selinger, T; Grisolia, C.; Markelj, Sabina.

In: Nuclear Fusion, 2020.

Research output: Contribution to journalArticleScientificpeer-review

TY - JOUR

T1 - New rate equation model to describe the stabilization of displacement damage by hydrogen atoms during ion irradiation in tungsten

AU - Pecovnik, Matic

AU - Hodille, Etienne

AU - Schwarz-Selinger, T

AU - Grisolia, C.

AU - Markelj, Sabina

PY - 2020

Y1 - 2020

N2 - The effect of deuterium (D) presence on the amount of displacement damage created in tungsten (W) during high-energy W-ion irradiation is investigated. For this purpose, we have performed modelling of experimental results where W was sequentially or simultaneously irradiated by 10.8 MeV W ions and exposed to 300 eV D ions. A novel displacement damage creation and stabilization model was newly developed and introduced into the MHIMS-Reservoir (Migration of Hydrogen Isotopes in MaterialS) code. It employs macroscopic rate equations (MREs) for solving the evolution of solute and trapped D concentrations in the material. The new displacement damage creation and stabilization model is based on spontaneous recombination of Frenkel pairs and stabilization of defects that are occupied by D atoms. By using the new model, we could successfully replicate the measured D depth profiles and D thermal desorption data, where a higher defect concentration was observed when D was present during W irradiation as compared to when no D was present. For this we utilized parameters, which include the number of distinct defect types, the de-trapping energies of their fill-levels, their saturation concentrations and their probability for stabilization if they contain a D during the W-ion irradiation. To successfully replicate the experimental results three distinct defect types were needed with several fill-levels. By comparing the de-trapping energies of the defect fill-levels with data available from the literature, the defect types were identified as single-vacancies, small vacancy clusters and large vacancy clusters. The effect of D presence was found to be largest in single vacancies as its concentration increased by about a factor of three, while the concentration of small vacancy clusters increased by about a factor of two. Large vacancy clusters were found to be largely unaffected as they showed very little increase in concentration when D was present

AB - The effect of deuterium (D) presence on the amount of displacement damage created in tungsten (W) during high-energy W-ion irradiation is investigated. For this purpose, we have performed modelling of experimental results where W was sequentially or simultaneously irradiated by 10.8 MeV W ions and exposed to 300 eV D ions. A novel displacement damage creation and stabilization model was newly developed and introduced into the MHIMS-Reservoir (Migration of Hydrogen Isotopes in MaterialS) code. It employs macroscopic rate equations (MREs) for solving the evolution of solute and trapped D concentrations in the material. The new displacement damage creation and stabilization model is based on spontaneous recombination of Frenkel pairs and stabilization of defects that are occupied by D atoms. By using the new model, we could successfully replicate the measured D depth profiles and D thermal desorption data, where a higher defect concentration was observed when D was present during W irradiation as compared to when no D was present. For this we utilized parameters, which include the number of distinct defect types, the de-trapping energies of their fill-levels, their saturation concentrations and their probability for stabilization if they contain a D during the W-ion irradiation. To successfully replicate the experimental results three distinct defect types were needed with several fill-levels. By comparing the de-trapping energies of the defect fill-levels with data available from the literature, the defect types were identified as single-vacancies, small vacancy clusters and large vacancy clusters. The effect of D presence was found to be largest in single vacancies as its concentration increased by about a factor of three, while the concentration of small vacancy clusters increased by about a factor of two. Large vacancy clusters were found to be largely unaffected as they showed very little increase in concentration when D was present

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DO - https://doi.org/10.1088/1741-4326/ab680f

M3 - Article

JO - Nuclear Fusion

JF - Nuclear Fusion

SN - 0029-5515

ER -