Ordering and clustering in FeCr binary alloys : An atomistic simulation study

Giovanni Bonny; Lorenzo Malerba; Dmitry Terentyev; Pär Olsson; Christophe Domain; Enrico Lucon; Marc Decréton

Ordering and clustering in FeCr binary alloys : An atomistic simulation study

Giovanni Bonny, Lorenzo Malerba, Dmitry Terentyev, Pär Olsson, Christophe Domain, Enrico Lucon, Marc Decréton

Research output › peer-review

Abstract

We applied atomistic kinetic Monte Carlo techniques, together with recently fitted Two Band many body potential to study the precipitation process by simulating thermal aging. The tendency to clustering is observed by inspection of the SRO parameter. The Cr-rich precipitates are coherent with the matrix structure. For their identification a Local Concentration Approximation (LCA) is proposed.

Original language	English
Title of host publication	3rd Intl. Conf. on Multiscale Materials Modelling, Freiburg, Germany
Place of Publication	Stuttgart, Germany
Pages	752-754
Volume	1
State	Published - 18 Sep 2006
Event	3rd Intl. Conf. on Multiscale Materials Modelling, Freiburg, Germany - Fraunhofer-Institute for Mechanics of Materials IWM, Freiburg Duration: 18 Sep 2006 → 22 Sep 2006

Conference

Conference	3rd Intl. Conf. on Multiscale Materials Modelling, Freiburg, Germany
Country/Territory	Germany
City	Freiburg
Period	2006-09-18 → 2006-09-22

Cite this

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title = "Ordering and clustering in FeCr binary alloys : An atomistic simulation study",

abstract = "We applied atomistic kinetic Monte Carlo techniques, together with recently fitted Two Band many body potential to study the precipitation process by simulating thermal aging. The tendency to clustering is observed by inspection of the SRO parameter. The Cr-rich precipitates are coherent with the matrix structure. For their identification a Local Concentration Approximation (LCA) is proposed.",

keywords = "FeCr, Ordering, clustering, precipitates, Monte Carlo, Two band model",

author = "Giovanni Bonny and Lorenzo Malerba and Dmitry Terentyev and P{\"a}r Olsson and Christophe Domain and Enrico Lucon and Marc Decr{\'e}ton",

note = "Score = 1; 3rd Intl. Conf. on Multiscale Materials Modelling, Freiburg, Germany ; Conference date: 18-09-2006 Through 22-09-2006",

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Bonny, G, Malerba, L, Terentyev, D, Olsson, P, Domain, C, Lucon, E & Decréton, M 2006, Ordering and clustering in FeCr binary alloys : An atomistic simulation study. in 3rd Intl. Conf. on Multiscale Materials Modelling, Freiburg, Germany. vol. 1, Stuttgart, Germany, pp. 752-754, 3rd Intl. Conf. on Multiscale Materials Modelling, Freiburg, Germany, Freiburg, Germany, 2006-09-18.

TY - GEN

T1 - Ordering and clustering in FeCr binary alloys : An atomistic simulation study

AU - Bonny, Giovanni

AU - Malerba, Lorenzo

AU - Terentyev, Dmitry

AU - Olsson, Pär

AU - Domain, Christophe

A2 - Lucon, Enrico

A2 - Decréton, Marc

N1 - Score = 1

PY - 2006/9/18

Y1 - 2006/9/18

N2 - We applied atomistic kinetic Monte Carlo techniques, together with recently fitted Two Band many body potential to study the precipitation process by simulating thermal aging. The tendency to clustering is observed by inspection of the SRO parameter. The Cr-rich precipitates are coherent with the matrix structure. For their identification a Local Concentration Approximation (LCA) is proposed.

AB - We applied atomistic kinetic Monte Carlo techniques, together with recently fitted Two Band many body potential to study the precipitation process by simulating thermal aging. The tendency to clustering is observed by inspection of the SRO parameter. The Cr-rich precipitates are coherent with the matrix structure. For their identification a Local Concentration Approximation (LCA) is proposed.

KW - FeCr

KW - Ordering

KW - clustering

KW - precipitates

KW - Monte Carlo

KW - Two band model

UR - http://ecm.sckcen.be/OTCS/llisapi.dll/open/ezp_33142

UR - http://knowledgecentre.sckcen.be/so2/bibref/3693

M3 - In-proceedings paper

SN - 978-3-8167-7206-4

VL - 1

SP - 752

EP - 754

BT - 3rd Intl. Conf. on Multiscale Materials Modelling, Freiburg, Germany

CY - Stuttgart, Germany

T2 - 3rd Intl. Conf. on Multiscale Materials Modelling, Freiburg, Germany

Y2 - 18 September 2006 through 22 September 2006

ER -