First-principles study of the interaction between helium and the defects in tantalum
As a low power spallation target or target cladding material, tantalum has almost the same defects productions as tungsten under irradiation. In this paper, the detailed analysis of helium behavior in tantalum has been conducted based on density functional theory. The formation energy of tetrahedral...
Ausführliche Beschreibung
Autor*in: |
Yin, Wen [verfasserIn] |
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Sprache: |
Englisch |
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2016transfer abstract |
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5 |
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Übergeordnetes Werk: |
Enthalten in: An image segmentation algorithm based on double-layer pulse-coupled neural network model for kiwifruit detection - He, Fuliang ELSEVIER, 2019, Amsterdam [u.a.] |
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Übergeordnetes Werk: |
volume:480 ; year:2016 ; pages:202-206 ; extent:5 |
Links: |
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DOI / URN: |
10.1016/j.jnucmat.2016.08.003 |
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Katalog-ID: |
ELV019895984 |
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520 | |a As a low power spallation target or target cladding material, tantalum has almost the same defects productions as tungsten under irradiation. In this paper, the detailed analysis of helium behavior in tantalum has been conducted based on density functional theory. The formation energy of tetrahedral interstitial configuration of helium is 0.3 eV lower than that of octahedral interstitial configuration, which means the tetrahedral interstitial configuration of helium is more stable than the octahedral configuration. Tetrahedral helium atoms in tantalum are predicted to have a very low migration, about 0.09 eV. A large binding energy between He and vacancy 2.03 eV indicates that He atom is easily trapped by vacancy, and a tetrahedral interstitial helium atom need overcome about 0.19 eV energy barriers when it directly jumps into the vacancy. Finally, the helium behavior in tantalum is compared with that in tungsten. It is obvious that the binding energy in tantalum is significantly different from those in tungsten. The interaction between two helium atoms in tantalum shows repulsive or weak repulsive other than attractive in tungsten, which suggests that helium atoms are easy to move other than to be a cluster in tantalum. | ||
520 | |a As a low power spallation target or target cladding material, tantalum has almost the same defects productions as tungsten under irradiation. In this paper, the detailed analysis of helium behavior in tantalum has been conducted based on density functional theory. The formation energy of tetrahedral interstitial configuration of helium is 0.3 eV lower than that of octahedral interstitial configuration, which means the tetrahedral interstitial configuration of helium is more stable than the octahedral configuration. Tetrahedral helium atoms in tantalum are predicted to have a very low migration, about 0.09 eV. A large binding energy between He and vacancy 2.03 eV indicates that He atom is easily trapped by vacancy, and a tetrahedral interstitial helium atom need overcome about 0.19 eV energy barriers when it directly jumps into the vacancy. Finally, the helium behavior in tantalum is compared with that in tungsten. It is obvious that the binding energy in tantalum is significantly different from those in tungsten. The interaction between two helium atoms in tantalum shows repulsive or weak repulsive other than attractive in tungsten, which suggests that helium atoms are easy to move other than to be a cluster in tantalum. | ||
650 | 7 | |a Tantalum |2 Elsevier | |
650 | 7 | |a Density functional theory |2 Elsevier | |
650 | 7 | |a Helium behaviors |2 Elsevier | |
700 | 1 | |a Jia, Xuejun |4 oth | |
700 | 1 | |a Yu, Quanzhi |4 oth | |
700 | 1 | |a Liang, Tianjiao |4 oth | |
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10.1016/j.jnucmat.2016.08.003 doi GBV00000000000347.pica (DE-627)ELV019895984 (ELSEVIER)S0022-3115(16)30528-1 DE-627 ger DE-627 rakwb eng 620 VZ 53.00 bkl 35.06 bkl 54.00 bkl Yin, Wen verfasserin aut First-principles study of the interaction between helium and the defects in tantalum 2016transfer abstract 5 nicht spezifiziert zzz rdacontent nicht spezifiziert z rdamedia nicht spezifiziert zu rdacarrier As a low power spallation target or target cladding material, tantalum has almost the same defects productions as tungsten under irradiation. In this paper, the detailed analysis of helium behavior in tantalum has been conducted based on density functional theory. The formation energy of tetrahedral interstitial configuration of helium is 0.3 eV lower than that of octahedral interstitial configuration, which means the tetrahedral interstitial configuration of helium is more stable than the octahedral configuration. Tetrahedral helium atoms in tantalum are predicted to have a very low migration, about 0.09 eV. A large binding energy between He and vacancy 2.03 eV indicates that He atom is easily trapped by vacancy, and a tetrahedral interstitial helium atom need overcome about 0.19 eV energy barriers when it directly jumps into the vacancy. Finally, the helium behavior in tantalum is compared with that in tungsten. It is obvious that the binding energy in tantalum is significantly different from those in tungsten. The interaction between two helium atoms in tantalum shows repulsive or weak repulsive other than attractive in tungsten, which suggests that helium atoms are easy to move other than to be a cluster in tantalum. As a low power spallation target or target cladding material, tantalum has almost the same defects productions as tungsten under irradiation. In this paper, the detailed analysis of helium behavior in tantalum has been conducted based on density functional theory. The formation energy of tetrahedral interstitial configuration of helium is 0.3 eV lower than that of octahedral interstitial configuration, which means the tetrahedral interstitial configuration of helium is more stable than the octahedral configuration. Tetrahedral helium atoms in tantalum are predicted to have a very low migration, about 0.09 eV. A large binding energy between He and vacancy 2.03 eV indicates that He atom is easily trapped by vacancy, and a tetrahedral interstitial helium atom need overcome about 0.19 eV energy barriers when it directly jumps into the vacancy. Finally, the helium behavior in tantalum is compared with that in tungsten. It is obvious that the binding energy in tantalum is significantly different from those in tungsten. The interaction between two helium atoms in tantalum shows repulsive or weak repulsive other than attractive in tungsten, which suggests that helium atoms are easy to move other than to be a cluster in tantalum. Tantalum Elsevier Density functional theory Elsevier Helium behaviors Elsevier Jia, Xuejun oth Yu, Quanzhi oth Liang, Tianjiao oth Enthalten in Elsevier Science He, Fuliang ELSEVIER An image segmentation algorithm based on double-layer pulse-coupled neural network model for kiwifruit detection 2019 Amsterdam [u.a.] (DE-627)ELV00295916X volume:480 year:2016 pages:202-206 extent:5 https://doi.org/10.1016/j.jnucmat.2016.08.003 Volltext GBV_USEFLAG_U GBV_ELV SYSFLAG_U 53.00 Elektrotechnik: Allgemeines VZ 35.06 Computeranwendungen Chemie VZ 54.00 Informatik: Allgemeines VZ AR 480 2016 202-206 5 |
spelling |
10.1016/j.jnucmat.2016.08.003 doi GBV00000000000347.pica (DE-627)ELV019895984 (ELSEVIER)S0022-3115(16)30528-1 DE-627 ger DE-627 rakwb eng 620 VZ 53.00 bkl 35.06 bkl 54.00 bkl Yin, Wen verfasserin aut First-principles study of the interaction between helium and the defects in tantalum 2016transfer abstract 5 nicht spezifiziert zzz rdacontent nicht spezifiziert z rdamedia nicht spezifiziert zu rdacarrier As a low power spallation target or target cladding material, tantalum has almost the same defects productions as tungsten under irradiation. In this paper, the detailed analysis of helium behavior in tantalum has been conducted based on density functional theory. The formation energy of tetrahedral interstitial configuration of helium is 0.3 eV lower than that of octahedral interstitial configuration, which means the tetrahedral interstitial configuration of helium is more stable than the octahedral configuration. Tetrahedral helium atoms in tantalum are predicted to have a very low migration, about 0.09 eV. A large binding energy between He and vacancy 2.03 eV indicates that He atom is easily trapped by vacancy, and a tetrahedral interstitial helium atom need overcome about 0.19 eV energy barriers when it directly jumps into the vacancy. Finally, the helium behavior in tantalum is compared with that in tungsten. It is obvious that the binding energy in tantalum is significantly different from those in tungsten. The interaction between two helium atoms in tantalum shows repulsive or weak repulsive other than attractive in tungsten, which suggests that helium atoms are easy to move other than to be a cluster in tantalum. As a low power spallation target or target cladding material, tantalum has almost the same defects productions as tungsten under irradiation. In this paper, the detailed analysis of helium behavior in tantalum has been conducted based on density functional theory. The formation energy of tetrahedral interstitial configuration of helium is 0.3 eV lower than that of octahedral interstitial configuration, which means the tetrahedral interstitial configuration of helium is more stable than the octahedral configuration. Tetrahedral helium atoms in tantalum are predicted to have a very low migration, about 0.09 eV. A large binding energy between He and vacancy 2.03 eV indicates that He atom is easily trapped by vacancy, and a tetrahedral interstitial helium atom need overcome about 0.19 eV energy barriers when it directly jumps into the vacancy. Finally, the helium behavior in tantalum is compared with that in tungsten. It is obvious that the binding energy in tantalum is significantly different from those in tungsten. The interaction between two helium atoms in tantalum shows repulsive or weak repulsive other than attractive in tungsten, which suggests that helium atoms are easy to move other than to be a cluster in tantalum. Tantalum Elsevier Density functional theory Elsevier Helium behaviors Elsevier Jia, Xuejun oth Yu, Quanzhi oth Liang, Tianjiao oth Enthalten in Elsevier Science He, Fuliang ELSEVIER An image segmentation algorithm based on double-layer pulse-coupled neural network model for kiwifruit detection 2019 Amsterdam [u.a.] (DE-627)ELV00295916X volume:480 year:2016 pages:202-206 extent:5 https://doi.org/10.1016/j.jnucmat.2016.08.003 Volltext GBV_USEFLAG_U GBV_ELV SYSFLAG_U 53.00 Elektrotechnik: Allgemeines VZ 35.06 Computeranwendungen Chemie VZ 54.00 Informatik: Allgemeines VZ AR 480 2016 202-206 5 |
allfields_unstemmed |
10.1016/j.jnucmat.2016.08.003 doi GBV00000000000347.pica (DE-627)ELV019895984 (ELSEVIER)S0022-3115(16)30528-1 DE-627 ger DE-627 rakwb eng 620 VZ 53.00 bkl 35.06 bkl 54.00 bkl Yin, Wen verfasserin aut First-principles study of the interaction between helium and the defects in tantalum 2016transfer abstract 5 nicht spezifiziert zzz rdacontent nicht spezifiziert z rdamedia nicht spezifiziert zu rdacarrier As a low power spallation target or target cladding material, tantalum has almost the same defects productions as tungsten under irradiation. In this paper, the detailed analysis of helium behavior in tantalum has been conducted based on density functional theory. The formation energy of tetrahedral interstitial configuration of helium is 0.3 eV lower than that of octahedral interstitial configuration, which means the tetrahedral interstitial configuration of helium is more stable than the octahedral configuration. Tetrahedral helium atoms in tantalum are predicted to have a very low migration, about 0.09 eV. A large binding energy between He and vacancy 2.03 eV indicates that He atom is easily trapped by vacancy, and a tetrahedral interstitial helium atom need overcome about 0.19 eV energy barriers when it directly jumps into the vacancy. Finally, the helium behavior in tantalum is compared with that in tungsten. It is obvious that the binding energy in tantalum is significantly different from those in tungsten. The interaction between two helium atoms in tantalum shows repulsive or weak repulsive other than attractive in tungsten, which suggests that helium atoms are easy to move other than to be a cluster in tantalum. As a low power spallation target or target cladding material, tantalum has almost the same defects productions as tungsten under irradiation. In this paper, the detailed analysis of helium behavior in tantalum has been conducted based on density functional theory. The formation energy of tetrahedral interstitial configuration of helium is 0.3 eV lower than that of octahedral interstitial configuration, which means the tetrahedral interstitial configuration of helium is more stable than the octahedral configuration. Tetrahedral helium atoms in tantalum are predicted to have a very low migration, about 0.09 eV. A large binding energy between He and vacancy 2.03 eV indicates that He atom is easily trapped by vacancy, and a tetrahedral interstitial helium atom need overcome about 0.19 eV energy barriers when it directly jumps into the vacancy. Finally, the helium behavior in tantalum is compared with that in tungsten. It is obvious that the binding energy in tantalum is significantly different from those in tungsten. The interaction between two helium atoms in tantalum shows repulsive or weak repulsive other than attractive in tungsten, which suggests that helium atoms are easy to move other than to be a cluster in tantalum. Tantalum Elsevier Density functional theory Elsevier Helium behaviors Elsevier Jia, Xuejun oth Yu, Quanzhi oth Liang, Tianjiao oth Enthalten in Elsevier Science He, Fuliang ELSEVIER An image segmentation algorithm based on double-layer pulse-coupled neural network model for kiwifruit detection 2019 Amsterdam [u.a.] (DE-627)ELV00295916X volume:480 year:2016 pages:202-206 extent:5 https://doi.org/10.1016/j.jnucmat.2016.08.003 Volltext GBV_USEFLAG_U GBV_ELV SYSFLAG_U 53.00 Elektrotechnik: Allgemeines VZ 35.06 Computeranwendungen Chemie VZ 54.00 Informatik: Allgemeines VZ AR 480 2016 202-206 5 |
allfieldsGer |
10.1016/j.jnucmat.2016.08.003 doi GBV00000000000347.pica (DE-627)ELV019895984 (ELSEVIER)S0022-3115(16)30528-1 DE-627 ger DE-627 rakwb eng 620 VZ 53.00 bkl 35.06 bkl 54.00 bkl Yin, Wen verfasserin aut First-principles study of the interaction between helium and the defects in tantalum 2016transfer abstract 5 nicht spezifiziert zzz rdacontent nicht spezifiziert z rdamedia nicht spezifiziert zu rdacarrier As a low power spallation target or target cladding material, tantalum has almost the same defects productions as tungsten under irradiation. In this paper, the detailed analysis of helium behavior in tantalum has been conducted based on density functional theory. The formation energy of tetrahedral interstitial configuration of helium is 0.3 eV lower than that of octahedral interstitial configuration, which means the tetrahedral interstitial configuration of helium is more stable than the octahedral configuration. Tetrahedral helium atoms in tantalum are predicted to have a very low migration, about 0.09 eV. A large binding energy between He and vacancy 2.03 eV indicates that He atom is easily trapped by vacancy, and a tetrahedral interstitial helium atom need overcome about 0.19 eV energy barriers when it directly jumps into the vacancy. Finally, the helium behavior in tantalum is compared with that in tungsten. It is obvious that the binding energy in tantalum is significantly different from those in tungsten. The interaction between two helium atoms in tantalum shows repulsive or weak repulsive other than attractive in tungsten, which suggests that helium atoms are easy to move other than to be a cluster in tantalum. As a low power spallation target or target cladding material, tantalum has almost the same defects productions as tungsten under irradiation. In this paper, the detailed analysis of helium behavior in tantalum has been conducted based on density functional theory. The formation energy of tetrahedral interstitial configuration of helium is 0.3 eV lower than that of octahedral interstitial configuration, which means the tetrahedral interstitial configuration of helium is more stable than the octahedral configuration. Tetrahedral helium atoms in tantalum are predicted to have a very low migration, about 0.09 eV. A large binding energy between He and vacancy 2.03 eV indicates that He atom is easily trapped by vacancy, and a tetrahedral interstitial helium atom need overcome about 0.19 eV energy barriers when it directly jumps into the vacancy. Finally, the helium behavior in tantalum is compared with that in tungsten. It is obvious that the binding energy in tantalum is significantly different from those in tungsten. The interaction between two helium atoms in tantalum shows repulsive or weak repulsive other than attractive in tungsten, which suggests that helium atoms are easy to move other than to be a cluster in tantalum. Tantalum Elsevier Density functional theory Elsevier Helium behaviors Elsevier Jia, Xuejun oth Yu, Quanzhi oth Liang, Tianjiao oth Enthalten in Elsevier Science He, Fuliang ELSEVIER An image segmentation algorithm based on double-layer pulse-coupled neural network model for kiwifruit detection 2019 Amsterdam [u.a.] (DE-627)ELV00295916X volume:480 year:2016 pages:202-206 extent:5 https://doi.org/10.1016/j.jnucmat.2016.08.003 Volltext GBV_USEFLAG_U GBV_ELV SYSFLAG_U 53.00 Elektrotechnik: Allgemeines VZ 35.06 Computeranwendungen Chemie VZ 54.00 Informatik: Allgemeines VZ AR 480 2016 202-206 5 |
allfieldsSound |
10.1016/j.jnucmat.2016.08.003 doi GBV00000000000347.pica (DE-627)ELV019895984 (ELSEVIER)S0022-3115(16)30528-1 DE-627 ger DE-627 rakwb eng 620 VZ 53.00 bkl 35.06 bkl 54.00 bkl Yin, Wen verfasserin aut First-principles study of the interaction between helium and the defects in tantalum 2016transfer abstract 5 nicht spezifiziert zzz rdacontent nicht spezifiziert z rdamedia nicht spezifiziert zu rdacarrier As a low power spallation target or target cladding material, tantalum has almost the same defects productions as tungsten under irradiation. In this paper, the detailed analysis of helium behavior in tantalum has been conducted based on density functional theory. The formation energy of tetrahedral interstitial configuration of helium is 0.3 eV lower than that of octahedral interstitial configuration, which means the tetrahedral interstitial configuration of helium is more stable than the octahedral configuration. Tetrahedral helium atoms in tantalum are predicted to have a very low migration, about 0.09 eV. A large binding energy between He and vacancy 2.03 eV indicates that He atom is easily trapped by vacancy, and a tetrahedral interstitial helium atom need overcome about 0.19 eV energy barriers when it directly jumps into the vacancy. Finally, the helium behavior in tantalum is compared with that in tungsten. It is obvious that the binding energy in tantalum is significantly different from those in tungsten. The interaction between two helium atoms in tantalum shows repulsive or weak repulsive other than attractive in tungsten, which suggests that helium atoms are easy to move other than to be a cluster in tantalum. As a low power spallation target or target cladding material, tantalum has almost the same defects productions as tungsten under irradiation. In this paper, the detailed analysis of helium behavior in tantalum has been conducted based on density functional theory. The formation energy of tetrahedral interstitial configuration of helium is 0.3 eV lower than that of octahedral interstitial configuration, which means the tetrahedral interstitial configuration of helium is more stable than the octahedral configuration. Tetrahedral helium atoms in tantalum are predicted to have a very low migration, about 0.09 eV. A large binding energy between He and vacancy 2.03 eV indicates that He atom is easily trapped by vacancy, and a tetrahedral interstitial helium atom need overcome about 0.19 eV energy barriers when it directly jumps into the vacancy. Finally, the helium behavior in tantalum is compared with that in tungsten. It is obvious that the binding energy in tantalum is significantly different from those in tungsten. The interaction between two helium atoms in tantalum shows repulsive or weak repulsive other than attractive in tungsten, which suggests that helium atoms are easy to move other than to be a cluster in tantalum. Tantalum Elsevier Density functional theory Elsevier Helium behaviors Elsevier Jia, Xuejun oth Yu, Quanzhi oth Liang, Tianjiao oth Enthalten in Elsevier Science He, Fuliang ELSEVIER An image segmentation algorithm based on double-layer pulse-coupled neural network model for kiwifruit detection 2019 Amsterdam [u.a.] (DE-627)ELV00295916X volume:480 year:2016 pages:202-206 extent:5 https://doi.org/10.1016/j.jnucmat.2016.08.003 Volltext GBV_USEFLAG_U GBV_ELV SYSFLAG_U 53.00 Elektrotechnik: Allgemeines VZ 35.06 Computeranwendungen Chemie VZ 54.00 Informatik: Allgemeines VZ AR 480 2016 202-206 5 |
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English |
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Enthalten in An image segmentation algorithm based on double-layer pulse-coupled neural network model for kiwifruit detection Amsterdam [u.a.] volume:480 year:2016 pages:202-206 extent:5 |
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Enthalten in An image segmentation algorithm based on double-layer pulse-coupled neural network model for kiwifruit detection Amsterdam [u.a.] volume:480 year:2016 pages:202-206 extent:5 |
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An image segmentation algorithm based on double-layer pulse-coupled neural network model for kiwifruit detection |
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In this paper, the detailed analysis of helium behavior in tantalum has been conducted based on density functional theory. The formation energy of tetrahedral interstitial configuration of helium is 0.3 eV lower than that of octahedral interstitial configuration, which means the tetrahedral interstitial configuration of helium is more stable than the octahedral configuration. Tetrahedral helium atoms in tantalum are predicted to have a very low migration, about 0.09 eV. A large binding energy between He and vacancy 2.03 eV indicates that He atom is easily trapped by vacancy, and a tetrahedral interstitial helium atom need overcome about 0.19 eV energy barriers when it directly jumps into the vacancy. Finally, the helium behavior in tantalum is compared with that in tungsten. It is obvious that the binding energy in tantalum is significantly different from those in tungsten. 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A large binding energy between He and vacancy 2.03 eV indicates that He atom is easily trapped by vacancy, and a tetrahedral interstitial helium atom need overcome about 0.19 eV energy barriers when it directly jumps into the vacancy. Finally, the helium behavior in tantalum is compared with that in tungsten. It is obvious that the binding energy in tantalum is significantly different from those in tungsten. 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first-principles study of the interaction between helium and the defects in tantalum |
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First-principles study of the interaction between helium and the defects in tantalum |
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As a low power spallation target or target cladding material, tantalum has almost the same defects productions as tungsten under irradiation. In this paper, the detailed analysis of helium behavior in tantalum has been conducted based on density functional theory. The formation energy of tetrahedral interstitial configuration of helium is 0.3 eV lower than that of octahedral interstitial configuration, which means the tetrahedral interstitial configuration of helium is more stable than the octahedral configuration. Tetrahedral helium atoms in tantalum are predicted to have a very low migration, about 0.09 eV. A large binding energy between He and vacancy 2.03 eV indicates that He atom is easily trapped by vacancy, and a tetrahedral interstitial helium atom need overcome about 0.19 eV energy barriers when it directly jumps into the vacancy. Finally, the helium behavior in tantalum is compared with that in tungsten. It is obvious that the binding energy in tantalum is significantly different from those in tungsten. The interaction between two helium atoms in tantalum shows repulsive or weak repulsive other than attractive in tungsten, which suggests that helium atoms are easy to move other than to be a cluster in tantalum. |
abstractGer |
As a low power spallation target or target cladding material, tantalum has almost the same defects productions as tungsten under irradiation. In this paper, the detailed analysis of helium behavior in tantalum has been conducted based on density functional theory. The formation energy of tetrahedral interstitial configuration of helium is 0.3 eV lower than that of octahedral interstitial configuration, which means the tetrahedral interstitial configuration of helium is more stable than the octahedral configuration. Tetrahedral helium atoms in tantalum are predicted to have a very low migration, about 0.09 eV. A large binding energy between He and vacancy 2.03 eV indicates that He atom is easily trapped by vacancy, and a tetrahedral interstitial helium atom need overcome about 0.19 eV energy barriers when it directly jumps into the vacancy. Finally, the helium behavior in tantalum is compared with that in tungsten. It is obvious that the binding energy in tantalum is significantly different from those in tungsten. The interaction between two helium atoms in tantalum shows repulsive or weak repulsive other than attractive in tungsten, which suggests that helium atoms are easy to move other than to be a cluster in tantalum. |
abstract_unstemmed |
As a low power spallation target or target cladding material, tantalum has almost the same defects productions as tungsten under irradiation. In this paper, the detailed analysis of helium behavior in tantalum has been conducted based on density functional theory. The formation energy of tetrahedral interstitial configuration of helium is 0.3 eV lower than that of octahedral interstitial configuration, which means the tetrahedral interstitial configuration of helium is more stable than the octahedral configuration. Tetrahedral helium atoms in tantalum are predicted to have a very low migration, about 0.09 eV. A large binding energy between He and vacancy 2.03 eV indicates that He atom is easily trapped by vacancy, and a tetrahedral interstitial helium atom need overcome about 0.19 eV energy barriers when it directly jumps into the vacancy. Finally, the helium behavior in tantalum is compared with that in tungsten. It is obvious that the binding energy in tantalum is significantly different from those in tungsten. The interaction between two helium atoms in tantalum shows repulsive or weak repulsive other than attractive in tungsten, which suggests that helium atoms are easy to move other than to be a cluster in tantalum. |
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First-principles study of the interaction between helium and the defects in tantalum |
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