Application of the cluster variation method to ordering in an
                interstitital solid solution: the gamma-Fe[N]/gamma'-Fesub4Nsub1-x equilibrium

Marjon I. Pekelharing; Amarante Böttger; Marcel A. J. Somers; Eric J. Mittemeijer

Application of the cluster variation method to ordering in an interstitital solid solution: the gamma-Fe[N]/gamma'-Fesub4Nsub1-x equilibrium

Marjon I. Pekelharing
, Amarante Böttger
, Marcel A. J. Somers
, Eric J. Mittemeijer

Delft University of Technology
Max Planck Institute

Research output: Contribution to journal › Journal article › Research › peer-review

Abstract

The tetrahedron approximation of the cluster variation method (CVM) was applied to describe the ordering on the fcc interstitial sublattice of gamma-Fe[N] and gamma'-Fe4N1-x. A Lennard-Jones potential was used to describe the dominantly strain-induced interactions, caused by misfitting of the N atoms in the interstitial octahedral sites. The gamma-Fe[N]/gamma'-Fe4N1-x miscibility gap, short range ordering (SRO), and long-range ordering (LRO) of nitrogen in gamma-Fe[N] and gamma'-Fe4N1-x, respectively, and lattice parameters of gamma and gamm' were calculated. For the first time, N distribution parameters,as calculated by CVM, were compared directly to Mössbauer data for specific surroundings of Fe atoms.

Original language	English
Journal	Metallurgical and Materials Transactions A: Physical Metallurgy and Materials Science
Volume	30A
Pages (from-to)	1945-1953
ISSN	1073-5623
Publication status	Published - 1999

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@article{8ebd8ef6e0bf4301b05229528e070ba9,

title = "Application of the cluster variation method to ordering in an interstitital solid solution: the gamma-Fe[N]/gamma'-Fesub4Nsub1-x equilibrium",

abstract = "The tetrahedron approximation of the cluster variation method (CVM) was applied to describe the ordering on the fcc interstitial sublattice of gamma-Fe[N] and gamma'-Fe4N1-x. A Lennard-Jones potential was used to describe the dominantly strain-induced interactions, caused by misfitting of the N atoms in the interstitial octahedral sites. The gamma-Fe[N]/gamma'-Fe4N1-x miscibility gap, short range ordering (SRO), and long-range ordering (LRO) of nitrogen in gamma-Fe[N] and gamma'-Fe4N1-x, respectively, and lattice parameters of gamma and gamm' were calculated. For the first time, N distribution parameters,as calculated by CVM, were compared directly to M{\"o}ssbauer data for specific surroundings of Fe atoms.",

author = "Pekelharing, \{Marjon I.\} and Amarante B{\"o}ttger and Somers, \{Marcel A. J.\} and Mittemeijer, \{Eric J.\}",

year = "1999",

language = "English",

volume = "30A",

pages = "1945--1953",

journal = "Metallurgical and Materials Transactions A: Physical Metallurgy and Materials Science",

issn = "1073-5623",

publisher = "Springer",

}

Application of the cluster variation method to ordering in an interstitital solid solution: the gamma-Fe[N]/gamma'-Fesub4Nsub1-x equilibrium. / Pekelharing, Marjon I.; Böttger, Amarante; Somers, Marcel A. J. et al.
In: Metallurgical and Materials Transactions A: Physical Metallurgy and Materials Science, Vol. 30A, 1999, p. 1945-1953.

Research output: Contribution to journal › Journal article › Research › peer-review

TY - JOUR

T1 - Application of the cluster variation method to ordering in an interstitital solid solution

T2 - the gamma-Fe[N]/gamma'-Fesub4Nsub1-x equilibrium

AU - Pekelharing, Marjon I.

AU - Böttger, Amarante

AU - Somers, Marcel A. J.

AU - Mittemeijer, Eric J.

PY - 1999

Y1 - 1999

N2 - The tetrahedron approximation of the cluster variation method (CVM) was applied to describe the ordering on the fcc interstitial sublattice of gamma-Fe[N] and gamma'-Fe4N1-x. A Lennard-Jones potential was used to describe the dominantly strain-induced interactions, caused by misfitting of the N atoms in the interstitial octahedral sites. The gamma-Fe[N]/gamma'-Fe4N1-x miscibility gap, short range ordering (SRO), and long-range ordering (LRO) of nitrogen in gamma-Fe[N] and gamma'-Fe4N1-x, respectively, and lattice parameters of gamma and gamm' were calculated. For the first time, N distribution parameters,as calculated by CVM, were compared directly to Mössbauer data for specific surroundings of Fe atoms.

AB - The tetrahedron approximation of the cluster variation method (CVM) was applied to describe the ordering on the fcc interstitial sublattice of gamma-Fe[N] and gamma'-Fe4N1-x. A Lennard-Jones potential was used to describe the dominantly strain-induced interactions, caused by misfitting of the N atoms in the interstitial octahedral sites. The gamma-Fe[N]/gamma'-Fe4N1-x miscibility gap, short range ordering (SRO), and long-range ordering (LRO) of nitrogen in gamma-Fe[N] and gamma'-Fe4N1-x, respectively, and lattice parameters of gamma and gamm' were calculated. For the first time, N distribution parameters,as calculated by CVM, were compared directly to Mössbauer data for specific surroundings of Fe atoms.

M3 - Journal article

SN - 1073-5623

VL - 30A

SP - 1945

EP - 1953

JO - Metallurgical and Materials Transactions A: Physical Metallurgy and Materials Science

JF - Metallurgical and Materials Transactions A: Physical Metallurgy and Materials Science

ER -