First-principles study on the interaction of H interstitials with grain 
boundaries in alpha- and gamma-Fe

Du, Y. J. A.; Ismer, L.; Rogal, J.; Hickel, T.; Neugebauer, J.; Drautz, R.

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First-principles study on the interaction of H interstitials with grain boundaries in alpha- and gamma-Fe

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Hickel, T.
Computational Phase Studies, Computational Materials Design, Max-Planck-Institut für Eisenforschung GmbH, Max Planck Society;

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Neugebauer, J.
Computational Materials Design, Max-Planck-Institut für Eisenforschung GmbH, Max Planck Society;

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Du, Y. J. A., Ismer, L., Rogal, J., Hickel, T., Neugebauer, J., & Drautz, R. (2011). First-principles study on the interaction of H interstitials with grain boundaries in alpha- and gamma-Fe. Physical Review B, 84(14), 144121-1-144121-13.

Cite as: https://hdl.handle.net/11858/00-001M-0000-0019-2F15-2

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