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Numerical Study on Stable Structure of Hydrogen Atoms in Tungsten : a First Principle Simulation

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Abstract Tungsten is one of the candidates for the diverter armor tiles due to the low solubility for hydrogen, excellent thermal properties and low sputtering properties, etc. In the present work, we investig...ate structure of hydrogen atoms in tungsten in first principle method by using Vienna ab initio simulation package (VASP). In the irradiation atmosphere, many vacancies are introduced in the plasma facing materials. So, we investigate preferable site for hydrogen atom in bulk tungsten and structure of hydrogen-vacancy complexes in tungsten, as well.show more

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Created Date 2013.08.23
Modified Date 2023.02.27

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