Hydrogen interaction with point defects in tungsten

被引：238

作者：

Heinola, K. ^{[1
]}

Ahlgren, T. ^{[1
]}

Nordlund, K. ^{[1
]}

Keinonen, J. ^{[1
]}

机构：

[1] Univ Helsinki, Dept Phys, FIN-00014 Helsinki, Finland

来源：

PHYSICAL REVIEW B | 2010年 / 82卷 / 09期

关键词：

FIELD-ION MICROSCOPE; GENERALIZED GRADIENT APPROXIMATION; IRRADIATION-INDUCED DEFECTS; INITIO MOLECULAR-DYNAMICS; AUGMENTED-WAVE METHOD; DEUTERIUM RETENTION; IMPLANTED DEUTERIUM; FREE MIGRATION; METALS; VACANCIES;

D O I：

10.1103/PhysRevB.82.094102

中图分类号：

T [工业技术];

学科分类号：

08 ;

摘要：

First-principles calculations were used in determining the binding and trapping properties of hydrogen to point defects in tungsten. Hydrogen zero-point vibrations were taken into account. It was concluded that the monovacancy can hold up to five hydrogen atoms at room temperature. The hydrogen was found to distort the self-interstitial atom configuration geometry. The interaction of hydrogen with the transmutation reaction impurities Re and Os were studied. It was found that the substitutional Re and Os have a negligible effect on the hydrogen trapping whereas the interstitial Os may increase the hydrogen inventory in tungsten.

引用

页数：5

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