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In this thesis the hydrogen retention at a Σ3(111) regular grain boundary in tungsten and its effect on the mechanical strength are investigated based on the first principles methods. The trapping ene...rgy for hydrogen at each site is calculated to show which one is most stable. Then, we studied on hydrogen segregation at the grain boundary region by calculating the hydrogen segregation energy ΔE_<seg>. we estimate the dependence of γ_<int> on the hydrogen density. We performed a tensile test of the tungsten block under the effects of hydrogen segregation using numerical simulations and estimated the maximum tensile strength after hydrogen induced embrittlement had occurred. In addition, the same test was performed with helium.続きを見る
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Mendeley出力
