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Title: Modeling of [alpha]/[alpha][sub 2] phase equilibrium in the Ti-Al system by the cluster variation method

Abstract

The cluster variation method was applied to the phase equilibrium calculations for the h.c.p. structure based on the tetrahedron approximation taking into account a c/a ratio. The model was applied to the [alpha]/[alpha][sub 2] equilibrium in the Ti-Al system with Lennard-Jones (L-J) pair potentials for describing the energy term of the system. A good fit for [alpha]/[alpha][sub 2] phase boundaries in the Ti-rich region of the Ti-Al system was obtained with experimental phase diagram by small change of L-J potential parameters which were obtained with experimental phase diagram by small change of L-J potential parameters which were roughly determined from the experimental data suggesting a possibility of a satisfactory treatment of [alpha]/[alpha][sub 2] equilibrium in the Ti-Al system. The CVM approximation with tetrahedron and triangle clusters resulted in the same configuration entropy for the h.c.p. and f.c.c. structures when a c/a ration of the h.c.p. structure had the ideal value of (8/3)[sup 1/2].

Authors:
; ;  [1]
  1. (National Research Inst. for Metals, Tokyo (Japan) Materials Design Div.)
Publication Date:
OSTI Identifier:
5188302
Resource Type:
Journal Article
Journal Name:
Acta Metallurgica et Materialia; (United States)
Additional Journal Information:
Journal Volume: 42:3; Journal ID: ISSN 0956-7151
Country of Publication:
United States
Language:
English
Subject:
36 MATERIALS SCIENCE; ALUMINIUM ALLOYS; MICROSTRUCTURE; TITANIUM BASE ALLOYS; BINARY ALLOY SYSTEMS; MATHEMATICAL MODELS; PHASE STUDIES; ALLOY SYSTEMS; ALLOYS; TITANIUM ALLOYS; 360102* - Metals & Alloys- Structure & Phase Studies

Citation Formats

Onodera, H., Abe, T., and Yokokawa, T. Modeling of [alpha]/[alpha][sub 2] phase equilibrium in the Ti-Al system by the cluster variation method. United States: N. p., 1994. Web. doi:10.1016/0956-7151(94)90284-4.
Onodera, H., Abe, T., & Yokokawa, T. Modeling of [alpha]/[alpha][sub 2] phase equilibrium in the Ti-Al system by the cluster variation method. United States. doi:10.1016/0956-7151(94)90284-4.
Onodera, H., Abe, T., and Yokokawa, T. Tue . "Modeling of [alpha]/[alpha][sub 2] phase equilibrium in the Ti-Al system by the cluster variation method". United States. doi:10.1016/0956-7151(94)90284-4.
@article{osti_5188302,
title = {Modeling of [alpha]/[alpha][sub 2] phase equilibrium in the Ti-Al system by the cluster variation method},
author = {Onodera, H. and Abe, T. and Yokokawa, T.},
abstractNote = {The cluster variation method was applied to the phase equilibrium calculations for the h.c.p. structure based on the tetrahedron approximation taking into account a c/a ratio. The model was applied to the [alpha]/[alpha][sub 2] equilibrium in the Ti-Al system with Lennard-Jones (L-J) pair potentials for describing the energy term of the system. A good fit for [alpha]/[alpha][sub 2] phase boundaries in the Ti-rich region of the Ti-Al system was obtained with experimental phase diagram by small change of L-J potential parameters which were obtained with experimental phase diagram by small change of L-J potential parameters which were roughly determined from the experimental data suggesting a possibility of a satisfactory treatment of [alpha]/[alpha][sub 2] equilibrium in the Ti-Al system. The CVM approximation with tetrahedron and triangle clusters resulted in the same configuration entropy for the h.c.p. and f.c.c. structures when a c/a ration of the h.c.p. structure had the ideal value of (8/3)[sup 1/2].},
doi = {10.1016/0956-7151(94)90284-4},
journal = {Acta Metallurgica et Materialia; (United States)},
issn = {0956-7151},
number = ,
volume = 42:3,
place = {United States},
year = {1994},
month = {3}
}