Title
Electron theoretical investigation of the stability of the B2-TiFe compound
Date Issued
20 February 2009
Access level
metadata only access
Resource Type
journal article
Author(s)
Publisher(s)
Elsevier
Abstract
The metastable phase diagram of the BCC-based ordering equilibria in the Ti-Fe system has been calculated using a truncated cluster expansion, through the combination of FP-LAPW and cluster variation method (CVM) in the irregular tetrahedron cluster approximation. The results are compared with phenomenological CVM assessments of the system and suggest that the value for the experimental formation enthalpy of the B2-TiFe compound should be significantly more negative than the currently assessed value. © 2008 Elsevier B.V. All rights reserved.
Start page
301
End page
305
Volume
470
Issue
February 1
Language
English
OCDE Knowledge area
Ingeniería mecánica
Ingeniería de materiales
Subjects
Scopus EID
2-s2.0-59449109620
Source
Journal of Alloys and Compounds
ISSN of the container
09258388
Sponsor(s)
The authors would like to thank Prof. Dr. Gerhard Inden of the Max-Planck-Institut für Eisenforschung (Düsseldorf, Germany) for useful discussions. This work has been finantially supported by the São Paulo State Research Funding Agency (FAPESP, São Paulo-SP, Brazil) under Proc. 2006/02470-0 and by the Brazilian National Research Council (CNPq, Brasília-DF, Brazil) under process 301392/2004-8, and used some facilities at LCCA-USP and CENAPAD-UNICAMP, Brazil and at UNAC-FCNM-CI, Peru.
Sources of information:
Directorio de Producción Científica
Scopus