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dc.contributor.author
Eleno, Luiz T.F.
dc.contributor.author
Errico, Leonardo Antonio
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Gonzales Ormeño, Pablo G.
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Petrilli, Helena M.
dc.contributor.author
Schön, Cláudio G.
dc.date.available
2020-03-17T19:36:37Z
dc.date.issued
2014-03
dc.identifier.citation
Eleno, Luiz T.F.; Errico, Leonardo Antonio; Gonzales Ormeño, Pablo G.; Petrilli, Helena M.; Schön, Cláudio G.; Ordering phase relationships in ternary iron aluminides; Pergamon-Elsevier Science Ltd; Calphad-Computer Coupling of Phase Diagrams and Thermochemistry; 44; 3-2014; 70-80
dc.identifier.issn
0364-5916
dc.identifier.uri
http://hdl.handle.net/11336/99900
dc.description.abstract
One of the key issues in the development of iron aluminides is the thermodynamic modeling of alloying effects on the long-range and short-range order states of the underlying bcc phase, needed for the proper description of their effects upon phase equilibria and physical properties of multicomponent alloys. The present work describes results obtained by the present research group in the development of a thermodynamic database using the cluster variation method (CVM) in the irregular tetrahedron approximation, combined with ab initio results obtained from FP-LAPW electronic structure calculation in the GGA approximation, as embodied in the WIEN2k package. The ordering phase equilibria in isothermal sections of systems Fe-Al-Mo, Fe-Al-Nb and Fe-Al-Ti are compared. These equilibria, particularly in the technologically important iron-rich corner, are characterized by radically different behaviors, ranging from very large solubility of Ti in the L21/D03 and B2 phases, to a very small solubility of Mo. The behavior of Nb is somewhat intermediate between these two extremes, and shows a limited solubility in the B2 phase, which is, however, found in metastable equilibrium with a L21 phase. It can be shown that these different behaviors can be understood as a consequence of the different metastable equilibria in the binary Fe-Mo, Fe-Nb and Fe-Ti systems. The results are discussed in reference with experimental data on the stable and metastable ordering equilibria in these systems and are illustrated by their impact of aluminide physical properties, like diffusion and APB energies, with its implications for plastic deformation.
dc.format
application/pdf
dc.language.iso
eng
dc.publisher
Pergamon-Elsevier Science Ltd
dc.rights
info:eu-repo/semantics/openAccess
dc.rights.uri
https://creativecommons.org/licenses/by-nc-sa/2.5/ar/
dc.subject
ANTIPHASE BOUNDARY ENERGIES
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CLUSTER VARIATION METHOD
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DIFFUSION
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FIRST PRINCIPLES CALCULATION
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IRON ALUMINIDES
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ORDER-DISORDER EQUILIBRIA
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Física de los Materiales Condensados
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Ciencias Físicas
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CIENCIAS NATURALES Y EXACTAS
dc.title
Ordering phase relationships in ternary iron aluminides
dc.type
info:eu-repo/semantics/article
dc.type
info:ar-repo/semantics/artículo
dc.type
info:eu-repo/semantics/publishedVersion
dc.date.updated
2020-03-16T14:08:34Z
dc.journal.volume
44
dc.journal.pagination
70-80
dc.journal.pais
Estados Unidos
dc.description.fil
Fil: Eleno, Luiz T.F.. Universidade de Sao Paulo; Brasil
dc.description.fil
Fil: Errico, Leonardo Antonio. Universidad Nacional del Noroeste de la Provincia de Buenos Aires; Argentina. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - La Plata. Instituto de Física La Plata. Universidad Nacional de La Plata. Facultad de Ciencias Exactas. Instituto de Física La Plata; Argentina
dc.description.fil
Fil: Gonzales Ormeño, Pablo G.. Universidad Nacional Tecnológica del Cono Sur; Perú
dc.description.fil
Fil: Petrilli, Helena M.. Universidade de Sao Paulo; Brasil
dc.description.fil
Fil: Schön, Cláudio G.. Universidade de Sao Paulo; Brasil
dc.journal.title
Calphad-Computer Coupling of Phase Diagrams and Thermochemistry
dc.relation.alternativeid
info:eu-repo/semantics/altIdentifier/url/https://www.sciencedirect.com/science/article/abs/pii/S0364591613000679
dc.relation.alternativeid
info:eu-repo/semantics/altIdentifier/doi/http://dx.doi.org/10.1016/j.calphad.2013.06.009
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