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

M. Pečovnik, E.A. Hodille, T. Schwarz-Selinger, C. Grisolia, S. Markelj2020年被引用 20Nuclear FusionIF 3出版社

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.

日本語訳

高エネルギーWイオン照射中のタングステン(W)に生じる変位損傷量に対する重水素(D)存在の影響を調査する。この目的のため、10.8 MeV Wイオンと300 eV Dイオンに逐次または同時に照射された実験結果のモデリングを実施した。新規の変位損傷生成・安定化モデルを開発し、それをMHIMS-Reservoir(材料中の水素同位体の移行)コードに導入した。このコードは、材料中の溶質D濃度とトラップD濃度の時間発展を解くために巨視的レート方程式(MREs)を用いる。新しい変位損傷生成・安定化モデルは、フレンケル対の自発的再結合と、D原子で占有された欠陥の安定化に基づいている。新モデルを用いることで、測定されたD深さプロファイルとD熱脱離データを首尾よく再現できた。そこでは、Dが存在しない場合と比較して、W照射中にDが存在する場合に、より高い欠陥濃度が観察された。このために、異なる欠陥タイプの数、それらの充填レベルの脱トラップエネルギー、それらの飽和濃度、およびWイオン照射中にDを含む場合の安定化確率を含むパラメータを利用した。実験結果を首尾よく再現するには、複数の充填レベルを持つ3つの異なる欠陥タイプが必要であった。欠陥充填レベルの脱トラップエネルギーを文献から得られるデータと比較することで、欠陥タイプは単一空孔、小空孔クラスタ、大空孔クラスタと同定された。D存在の効果は単一空孔で最も大きく、その濃度は約3倍に増加し、小空孔クラスタの濃度は約2倍に増加した。大空孔クラスタは、D存在時に濃度の増加がほとんど見られず、ほぼ影響を受けないことがわかった。

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