Segregation of hydrogen and vacancies at the Σ5(210)[001] symmetric tilt grain boundary in Ni and influence on cohesion

The segregation of hydrogen and vacancies at the Σ5(210)[001] symmetric tilt grain boundary (GB) was studied by atomic scale simulations in Ni. First, the hydrogen segregation energies and hydrogen–hydrogen pair interaction energies were calculated on every interstitial site of the GB. The vacancy–h...

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Veröffentlicht in:	Modelling and simulation in materials science and engineering 2021-07, Vol.29 (5), p.55004
Hauptverfasser:	Shen, X J, Connétable, D, Andrieu, E, Tanguy, D
Format:	Artikel
Sprache:	eng
Schlagworte:	cohesion Condensed Matter hydrogen Materials Science Physics simulations
Online-Zugang:	Volltext
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