Stability of self-interstitial clusters with C15 Laves phase structure in iron

The energetics and stability of self-interstitial clusters with C15 Laves phase structure in iron are investigated by Density Functional Theory (DFT) calculations. First, the properties of bulk C15 are examined. The C15 structure is shown to be mechanically and dynamically stable. Second, the influe...

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Veröffentlicht in:	Journal of nuclear materials 2014-06, Vol.449 (1-3), p.219-224
Hauptverfasser:	Dézerald, L., Marinica, M.-C., Ventelon, Lisa, Rodney, D., Willaime, F.
Format:	Artikel
Sprache:	eng
Online-Zugang:	Volltext
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