Identification and characterization of Cr-rich precipitates in FeCr alloys : An atomistic study

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@article{b7f6670ba4ac4ae195a58420b97ecbfd,
title = "Identification and characterization of Cr-rich precipitates in FeCr alloys : An atomistic study",
abstract = "In this work, we present a simple and fast method in order to identify and to characterize solute-rich non-pure coherent precipitates in atomistic simulations. As an application of this method a thermal annealing of the binary FeCr alloy was performed using kinetic Monte Carlo techniques to study the phase separation process. The simulation was performed using two different cohesive models that predict a different mixing enthalpy to see the effect on the precipitation kinetics. The evolution of the precipitate number density and size distributions has been followed during thermal annealing of the Fe–11.8Cr at 673 K. The obtained results are discussed and compared with available experimental data.",
keywords = "Atomistic simulations, FeCr, Precipitation",
author = "Giovanni Bonny and Dmitry Terentyev and Lorenzo Malerba and Nicolas Castin and {Al Mazouzi}, Abderrahim",
note = "Score = 10",
year = "2007",
month = "9",
day = "6",
doi = "10.1016/j.commatsci.2007.06.017",
language = "English",
volume = "42",
pages = "107--112",
journal = "Computational Materials Science",
issn = "0927-0256",
publisher = "Elsevier",
number = "1",

}

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TY - JOUR

T1 - Identification and characterization of Cr-rich precipitates in FeCr alloys : An atomistic study

AU - Bonny, Giovanni

AU - Terentyev, Dmitry

AU - Malerba, Lorenzo

A2 - Castin, Nicolas

A2 - Al Mazouzi, Abderrahim

N1 - Score = 10

PY - 2007/9/6

Y1 - 2007/9/6

N2 - In this work, we present a simple and fast method in order to identify and to characterize solute-rich non-pure coherent precipitates in atomistic simulations. As an application of this method a thermal annealing of the binary FeCr alloy was performed using kinetic Monte Carlo techniques to study the phase separation process. The simulation was performed using two different cohesive models that predict a different mixing enthalpy to see the effect on the precipitation kinetics. The evolution of the precipitate number density and size distributions has been followed during thermal annealing of the Fe–11.8Cr at 673 K. The obtained results are discussed and compared with available experimental data.

AB - In this work, we present a simple and fast method in order to identify and to characterize solute-rich non-pure coherent precipitates in atomistic simulations. As an application of this method a thermal annealing of the binary FeCr alloy was performed using kinetic Monte Carlo techniques to study the phase separation process. The simulation was performed using two different cohesive models that predict a different mixing enthalpy to see the effect on the precipitation kinetics. The evolution of the precipitate number density and size distributions has been followed during thermal annealing of the Fe–11.8Cr at 673 K. The obtained results are discussed and compared with available experimental data.

KW - Atomistic simulations

KW - FeCr

KW - Precipitation

UR - http://ecm.sckcen.be/OTCS/llisapi.dll/open/ezp_86618

UR - http://knowledgecentre.sckcen.be/so2/bibref/4830

U2 - 10.1016/j.commatsci.2007.06.017

DO - 10.1016/j.commatsci.2007.06.017

M3 - Article

VL - 42

SP - 107

EP - 112

JO - Computational Materials Science

JF - Computational Materials Science

SN - 0927-0256

IS - 1

ER -

ID: 304166