Ab initio calculations of structural, elastic and thermal properties of TiCr2 and (Ti,Mg)(Mg,Cr)2 Laves phases

[Display omitted] •Structural stability, elastic and thermal properties of TiCr2 and (Ti,Mg)(Mg,Cr)2 are studied using ab initio calculations.•The preferred site of Mg alloy is also determined.•Elastic constants, mechanical parameters and Debye temperature are calculated and discussed. First princip...

Ausführliche Beschreibung

Bibliographische Detailangaben

Veröffentlicht in:	Computational materials science 2015-01, Vol.96, p.348-353
Hauptverfasser:	Sari, A., Merad, G., Si Abdelkader, H.
Format:	Artikel
Sprache:	eng
Schlagworte:	Ab initio calculations Elastic constants Elastic properties Energy of formation Laves phase Laves phases Mathematical analysis Mg-alloys Phases Structural stability Thermal properties Titanium
Online-Zugang:	Volltext
Tags:	Tag hinzufügen Keine Tags, Fügen Sie den ersten Tag hinzu!