Dislocation interaction with C in α-Fe:: A comparison between atomic simulations and elasticity theory

被引：191

作者：

Clouet, Emmanuel ^{[1
,2
]}

Garruchet, Sebastien ^{[3
]}

Nguyen, Hoang ^{[1
]}

Perez, Michel ^{[3
]}

Becquart, Charlotte S. ^{[1
]}

机构：

[1] Ecole Natl Super Chim, CNRS, Sci & Genie Mat Met Lab, UMR 8517, F-59655 Villeneuve Dascq, France

[2] CEA Saclay, Serv Rech Met Phys, F-91191 Gif Sur Yvette, France

[3] Univ Lyon, INSA Lyon, CNRS, MATEIS,UMR 5510, F-69621 Villeurbanne, France

来源：

ACTA MATERIALIA | 2008年 / 56卷 / 14期

关键词：

Fe-C alloys; screw dislocation; edge dislocation; anisotropic elasticity; Cottrell atmospheres;

D O I：

10.1016/j.actamat.2008.03.024

中图分类号：

T [工业技术];

学科分类号：

08 ;

摘要：

The interaction of C atoms with a screw and an edge dislocation is modelled at an atomic scale using an empirical Fe-C interatomic potential based on the embedded atom method and molecular statics simulations. Results of atomic simulations are compared with predictions of elasticity theory. It is shown that a quantitative agreement can be obtained between both modelling techniques as long as anisotropic elastic calculations are performed and both the dilatation and the tetragonal distortion induced by the C interstitial are considered. Using isotropic elasticity allows the prediction of the main trends of the interaction, whereas considering only the interstitial dilatation will lead to a wrong interaction. (c) 2008 Acta Materialia Inc. Published by Elsevier Ltd. All rights reserved.

引用

页码：3450 / 3460

页数：11

共 44 条

[1] Development of an interatomic potential for phosphorus impurities in α-iron [J].

Ackland, GJ ;

Mendelev, MI ;

Srolovitz, DJ ;

Han, S ;

Barashev, AV .

JOURNAL OF PHYSICS-CONDENSED MATTER, 2004, 16 (27) :S2629-S2642

[2]

[Anonymous], 1979, PROG MATER SCI

[3] ON CARBON-DISLOCATION INTERACTION IN IRON [J].

BACON, DJ .

SCRIPTA METALLURGICA, 1969, 3 (10) :735-&

[4] Atomistic modeling of an Fe system with a small concentration of C [J].

Becquart, C. S. ;

Raulot, J. M. ;

Bencteux, G. ;

Domain, C. ;

Perez, M. ;

Garruchet, S. ;

Nguyen, H. .

COMPUTATIONAL MATERIALS SCIENCE, 2007, 40 (01) :119-129

[5] Three-dimensional atomic-scale imaging of impurity segregation to line defects [J].

Blavette, D ;

Cadel, E ;

Fraczkiewicz, A ;

Menand, A .

SCIENCE, 1999, 286 (5448) :2317-2319

[6]

CHANG R, 1970, NBS SPEC PUBL, P299

[7] LATTICE-PARAMETERS OF IRON-CARBON AND IRON-NITROGEN MARTENSITES AND AUSTENITES [J].

CHENG, L ;

BOTTGER, A ;

DEKEIJSER, TH ;

MITTEMEIJER, EJ .

SCRIPTA METALLURGICA ET MATERIALIA, 1990, 24 (03) :509-514

[8] STRESS AND DILATATION FIELDS OF [111] DISLOCATION IN CUBIC CRYSTALS [J].

CHOU, YT ;

MITCHELL, TE .

JOURNAL OF APPLIED PHYSICS, 1967, 38 (04) :1535-&

[9] The vacancy-edge dislocation interaction in fcc metals: A comparison between atomic simulations and elasticity theory [J].

Clouet, Emmanuel .

ACTA MATERIALIA, 2006, 54 (13) :3543-3552

[10] INTERACTION BETWEEN DISLOCATIONS AND INTERSTITIAL ATOMS IN BODY-CENTERED CUBIC METALS [J].

COCHARDT, AW ;

SCHOEK, G ;

WIEDERSICH, H .

ACTA METALLURGICA, 1955, 3 (06) :533-537

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