Early stages of alpha-alpha prime phase separation in Fe-Cr alloys: An atomistic study

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Early stages of alpha-alpha prime phase separation in Fe-Cr alloys: An atomistic study. / Bonny, Giovanni; Terentyev, Dmitry; Malerba, Lorenzo; Van Neck, Dimitri; Lucon, Enrico (Peer reviewer).

In: Physical Review B, Vol. 79, No. 10, 24.03.2009, p. 104207-104207.

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@article{c55e8f35d9654cbaa83246de06d8d81b,
title = "Early stages of alpha-alpha prime phase separation in Fe-Cr alloys: An atomistic study",
abstract = "The thermal aging of Fe-Cr alloys was simulated using atomistic kinetic Monte Carlo techniques. The study was performed varying the Cr content in the range of 12–18 at. {\%} Cr and at temperatures within the miscibility gap, where alpha - alpha prime phase separation occurs. The evolution of the phase-separation process was characterized in terms of precipitate shape, composition, density, and mean size. The results offer a description of alpha - alpha prime phase separation in its early stage, which is hardly accessible to experiments and of key importance in understanding the change in mechanical properties of Fe-Cr alloys under thermal aging. The critical size for a stable precipitate was estimated from the simulation data in the framework of Gibbs’s homogeneous nucleation theory. The obtained results are compared, whenever possible, with available experimental data and the reliability, as well as the shortcomings, of the applied method is discussed accordingly. Despite strong oversimplifications, the used model shows good agreement with experimental data.",
keywords = "ageing, chromium alloys, iron alloys, Monte Carlo methods, phase separation, precipitation, solubility",
author = "Giovanni Bonny and Dmitry Terentyev and Lorenzo Malerba and {Van Neck}, Dimitri and Enrico Lucon",
note = "Score = 10",
year = "2009",
month = "3",
day = "24",
doi = "10.1103/PhysRevB.79.104207",
language = "English",
volume = "79",
pages = "104207--104207",
journal = "Physical Review B",
issn = "1098-0121",
publisher = "APS - American Physical Society",
number = "10",

}

RIS - Download

TY - JOUR

T1 - Early stages of alpha-alpha prime phase separation in Fe-Cr alloys: An atomistic study

AU - Bonny, Giovanni

AU - Terentyev, Dmitry

AU - Malerba, Lorenzo

AU - Van Neck, Dimitri

A2 - Lucon, Enrico

N1 - Score = 10

PY - 2009/3/24

Y1 - 2009/3/24

N2 - The thermal aging of Fe-Cr alloys was simulated using atomistic kinetic Monte Carlo techniques. The study was performed varying the Cr content in the range of 12–18 at. % Cr and at temperatures within the miscibility gap, where alpha - alpha prime phase separation occurs. The evolution of the phase-separation process was characterized in terms of precipitate shape, composition, density, and mean size. The results offer a description of alpha - alpha prime phase separation in its early stage, which is hardly accessible to experiments and of key importance in understanding the change in mechanical properties of Fe-Cr alloys under thermal aging. The critical size for a stable precipitate was estimated from the simulation data in the framework of Gibbs’s homogeneous nucleation theory. The obtained results are compared, whenever possible, with available experimental data and the reliability, as well as the shortcomings, of the applied method is discussed accordingly. Despite strong oversimplifications, the used model shows good agreement with experimental data.

AB - The thermal aging of Fe-Cr alloys was simulated using atomistic kinetic Monte Carlo techniques. The study was performed varying the Cr content in the range of 12–18 at. % Cr and at temperatures within the miscibility gap, where alpha - alpha prime phase separation occurs. The evolution of the phase-separation process was characterized in terms of precipitate shape, composition, density, and mean size. The results offer a description of alpha - alpha prime phase separation in its early stage, which is hardly accessible to experiments and of key importance in understanding the change in mechanical properties of Fe-Cr alloys under thermal aging. The critical size for a stable precipitate was estimated from the simulation data in the framework of Gibbs’s homogeneous nucleation theory. The obtained results are compared, whenever possible, with available experimental data and the reliability, as well as the shortcomings, of the applied method is discussed accordingly. Despite strong oversimplifications, the used model shows good agreement with experimental data.

KW - ageing

KW - chromium alloys

KW - iron alloys

KW - Monte Carlo methods

KW - phase separation

KW - precipitation

KW - solubility

UR - http://ecm.sckcen.be/OTCS/llisapi.dll/open/ezp_96085

UR - http://knowledgecentre.sckcen.be/so2/bibref/5736

U2 - 10.1103/PhysRevB.79.104207

DO - 10.1103/PhysRevB.79.104207

M3 - Article

VL - 79

SP - 104207

EP - 104207

JO - Physical Review B

JF - Physical Review B

SN - 1098-0121

IS - 10

ER -

ID: 206041