Влияние примесей внедрения (B, H) на зернограничную когезию в железе с симметричной границей наклона Σ5(310) Т. И. Спиридонова, А. В. Бакулин, С. Е. Кулькова
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ArticleOther title: Influence of interstitial impurities (B, N) on grain boundary cohesion in iron with a symmetric grain boundary Σ5(310) [Parallel title]Subject(s): легкие примеси | границы зерен в сплавах | поликристаллические материалы | экспериментальные исследованияGenre/Form: статьи в сборниках Online resources: Click here to access online
In:
Перспективы развития фундаментальных наук. Т. 1 : сборник научных трудов XIII Международной конференции студентов, аспирантов и молодых ученых, Россия, Томск, 26-29 апреля 2016 г Т. 1 : Физика. С. 262-264Abstract: Influence of the hydrogen and boron segregation on the grain boundary cohesion in iron with a symmetric grain boundary Z5(310) was investigated by the projector augmented-wave method within the density functional theory. The binding energies for H and B at the grain boundary and on the free surface were calculated. It was found that hydrogen prefers to be bonded on the Fe surface while the highest binding energy of boron was found at the grain boundary. It was shown that hydrogen leads to deteriorate cohesive properties of Fe whereas boron results to improvement grain boundary cohesion.
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Influence of the hydrogen and boron segregation on the grain boundary cohesion in iron with a symmetric grain boundary Z5(310) was investigated by the projector augmented-wave method within the density functional theory. The binding energies for H and B at the grain boundary and on the free surface were calculated. It was found that hydrogen prefers to be bonded on the Fe surface while the highest binding energy of boron was found at the grain boundary. It was shown that hydrogen leads to deteriorate cohesive properties of Fe whereas boron results to improvement grain boundary cohesion.
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