Non-empirical study of phase competition in A2-B2 mixture in Fe-Al alloy

Vlad Liubich; Simon Dorfman; David Fuks

doi:10.1016/S0927-0256(02)00203-3

Non-empirical study of phase competition in A2-B2 mixture in Fe-Al alloy

Vlad Liubich, Simon Dorfman, David Fuks

Department of Materials Engineering

Research output: Contribution to journal › Article › peer-review

3 Scopus citations

Abstract

In the framework of the coherent potential approximation we show that the interaction parameter V(0) for disordered A2 FeAl alloy strongly depends on the concentration. Data of non-empirical calculations for different compositions of B2 phase were used to extract V(0) and were compared with the parameter treated from the X-ray scattering data. Another energy parameter V(k_s^→) which defines the stability of B2 phase with respect to its temperature disordering is negative for all concentrations under consideration.

Original language	English
Pages (from-to)	268-272
Number of pages	5
Journal	Computational Materials Science
Volume	24
Issue number	1-2
DOIs	https://doi.org/10.1016/S0927-0256(02)00203-3
State	Published - 1 May 2002

Keywords

Concentration waves
Intermetallics
Mixing energy
Nonempirical calculations
Solid solutions

ASJC Scopus subject areas

General Computer Science
General Chemistry
General Materials Science
Mechanics of Materials
General Physics and Astronomy
Computational Mathematics

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10.1016/S0927-0256(02)00203-3

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abstract = "In the framework of the coherent potential approximation we show that the interaction parameter V(0) for disordered A2 FeAl alloy strongly depends on the concentration. Data of non-empirical calculations for different compositions of B2 phase were used to extract V(0) and were compared with the parameter treated from the X-ray scattering data. Another energy parameter V(ks→) which defines the stability of B2 phase with respect to its temperature disordering is negative for all concentrations under consideration.",

keywords = "Concentration waves, Intermetallics, Mixing energy, Nonempirical calculations, Solid solutions",

author = "Vlad Liubich and Simon Dorfman and David Fuks",

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AU - Liubich, Vlad

AU - Dorfman, Simon

AU - Fuks, David

PY - 2002/5/1

Y1 - 2002/5/1

N2 - In the framework of the coherent potential approximation we show that the interaction parameter V(0) for disordered A2 FeAl alloy strongly depends on the concentration. Data of non-empirical calculations for different compositions of B2 phase were used to extract V(0) and were compared with the parameter treated from the X-ray scattering data. Another energy parameter V(ks→) which defines the stability of B2 phase with respect to its temperature disordering is negative for all concentrations under consideration.

AB - In the framework of the coherent potential approximation we show that the interaction parameter V(0) for disordered A2 FeAl alloy strongly depends on the concentration. Data of non-empirical calculations for different compositions of B2 phase were used to extract V(0) and were compared with the parameter treated from the X-ray scattering data. Another energy parameter V(ks→) which defines the stability of B2 phase with respect to its temperature disordering is negative for all concentrations under consideration.

KW - Concentration waves

KW - Intermetallics

KW - Mixing energy

KW - Nonempirical calculations

KW - Solid solutions

UR - http://www.scopus.com/inward/record.url?scp=0036577002&partnerID=8YFLogxK

U2 - 10.1016/S0927-0256(02)00203-3

DO - 10.1016/S0927-0256(02)00203-3

M3 - Article

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SN - 0927-0256

VL - 24

SP - 268

EP - 272

JO - Computational Materials Science

JF - Computational Materials Science

IS - 1-2

ER -

Non-empirical study of phase competition in A2-B2 mixture in Fe-Al alloy

Abstract

Keywords

ASJC Scopus subject areas

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