Energetics of point defect formation in Ni 3Al

Vacancy and anti-site defect formation energies in L1 2-ordered Ni 3Al are calculated by ab initio approaches. Based on a statistical-thermodynamic model the thermodynamic activities of both components are derived as a function of temperature and composition. Comparison with measured activities demo...

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Bibliographic Details

Published in:	Scripta materialia 2002, Vol.46 (1), p.37-41
Main Authors:	Schweiger, Hannes, Semenova, Olga, Wolf, Walter, Püschl, Wolfgang, Pfeiler, Wolfgang, Podloucky, Raimund, Ipser, Herbert
Format:	Article
Language:	eng
Subjects:	Compounds, intermetallic Lattice defects Theory and modeling, defects Thermodynamics
Online Access:	Get full text
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