Published March 2014
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First-principles study on migration of vacancy in tungsten
Description
We calculated di-vacancy binding energies and migration energies of mono-vacancy and di-vacancy in tungsten material using DFT calculation. The mono-vacancy diffuses in [111] direction easily rather than in [001] direction. The migration energies of di-vacancies are almost the same value of the mono-vacancy. The migration of di-vacancy is approximately the same as the migration of mono-vacancy. The di-vacancy binding energies are almost zero or negative. The interactions between two vacancies in tungsten material are repulsive from the second to fifth nearest-neighbor. The vacancies are difficult to aggregate since di-vacancy is less stable than mono-vacancy. (author)
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Additional details
Publishing Information
- Imprint Pagination
- 7 p.
- Report number
- NIFS--1075
INIS
- Country of Publication
- Japan
- Country of Input or Organization
- Japan
- INIS RN
- 47070980
- Subject category
- S70: PLASMA PHYSICS AND FUSION TECHNOLOGY;
- Descriptors DEI
- BINDING ENERGY; DENSITY FUNCTIONAL METHOD; DIVERTORS; ITER TOKAMAK; THERMONUCLEAR REACTOR MATERIALS; TUNGSTEN; TUNGSTEN ALLOYS; VACANCIES
- Descriptors DEC
- ALLOYS; CALCULATION METHODS; CLOSED PLASMA DEVICES; CRYSTAL DEFECTS; CRYSTAL STRUCTURE; ELEMENTS; ENERGY; MATERIALS; METALS; POINT DEFECTS; REFRACTORY METALS; THERMONUCLEAR DEVICES; THERMONUCLEAR REACTORS; TOKAMAK DEVICES; TOKAMAK TYPE REACTORS; TRANSITION ELEMENT ALLOYS; TRANSITION ELEMENTS; VARIATIONAL METHODS
Optional Information
- Notes
- 16 refs., 5 figs., 1 tab.