Title
Ab initio calculation of the bcc Fe-Al phase diagram including magnetic interactions
Date Issued
01 April 2006
Access level
metadata only access
Resource Type
journal article
Author(s)
Publisher(s)
Elsevier
Abstract
The metastable phase diagram of the body-centered cubic-based ordering equilibria in the Fe-Al system has been calculated by the cluster expansion method, through the combination of the full potential-linear augmented plane wave and cluster variation methods. The results are discussed with reference to the effect of including the spin polarizations of Fe in the thermodynamic model. © 2006 Acta Materialia Inc. Published by Elsevier Ltd. All rights reserved.
Start page
1271
End page
1276
Volume
54
Issue
7
Language
English
OCDE Knowledge area
Química inorgánica, Química nuclear
Termodinámica
Ingeniería de materiales
Subjects
Scopus EID
2-s2.0-31544467569
Source
Scripta Materialia
ISSN of the container
13596462
Sponsor(s)
We wish to thank Prof. Dr. R. Besson, Prof. Dr. A. Legris and Prof. Dr. K. Capelle for useful discussions. This work has been supported by FAPESP and CNPq, and made use of the facilities of LCCA-USP and CENAPAD-UNICAMP, Brazil and University of Lille 1, France.
Sources of information:
Directorio de Producción Científica
Scopus