<紀要論文>
Thermodynamic properties of vacancy-hydrogen complex in tungsten
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概要 | Formation energies for vacancy-hydrogen (V-H) complexes in tungsten (W) are calculated in terms of first-principles calculations. The dependence of concentration of V-H complexes on temperature and lo...cal H concentration is estimated assuming thermal equilibrium. It has been reported that a maximum of 12 H atoms are accommodated in a W monovacancy at 0 K. However, major monovacancies trap six H atoms in finite temperature.続きを見る |
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登録日 | 2013.08.27 |
更新日 | 2023.02.27 |