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Titolo:
Effects of Cr, Nn on the cohesion of the gamma-iron grain boundary
Autore:
Yang, R; Zhao, DL; Wang, YM; Wang, SQ; Ye, HQ; Wang, CY;
Indirizzi:
Chinese Acad Sci, Inst Met Res, Atom Imaging Solids Lab, Shenyang 110015, Peoples R China Chinese Acad Sci Shenyang Peoples R China 110015 110015, Peoples R China Cent Iron & Steel Res Inst, Beijing, Peoples R China Cent Iron & Steel ResInst Beijing Peoples R China ing, Peoples R China
Titolo Testata:
ACTA MATERIALIA
fascicolo: 6, volume: 49, anno: 2001,
pagine: 1079 - 1085
SICI:
1359-6454(20010402)49:6<1079:EOCNOT>2.0.ZU;2-W
Fonte:
ISI
Lingua:
ENG
Soggetto:
ELECTRONIC-STRUCTURE; PHOSPHORUS SEGREGATION; STAINLESS-STEEL; EMBRITTLEMENT; AUSTENITE; BORON; MANGANESE; SULFUR; CARBON; NI3AL;
Keywords:
computer simulation; gamma-iron; grain boundaries; segregation;
Tipo documento:
Article
Natura:
Periodico
Settore Disciplinare:
Physical, Chemical & Earth Sciences
Engineering, Computing & Technology
Citazioni:
29
Recensione:
Indirizzi per estratti:
Indirizzo: Yang, R Chinese Acad Sci, Inst Met Res, Atom Imaging Solids Lab, 72 WenhuaRd, Shenyang 110015, Peoples R China Chinese Acad Sci 72 Wenhua Rd Shenyang Peoples R China 110015 ina
Citazione:
R. Yang et al., "Effects of Cr, Nn on the cohesion of the gamma-iron grain boundary", ACT MATER, 49(6), 2001, pp. 1079-1085

Abstract

The effect of alloying elements Cr and Mn on the cohesion of the gamma -iron Sigma 11[1(1) over bar 1]/(11(3) over bar) grain boundary (GB) is investigated based on the thermodynamic model of Rice-Wang by using the first-principles density functional theory. The electronic properties are studied fur Cr/Fe and Mn/Fe systems. In these systems, the chemical effect of Cr and Mn is in favor of enhancing the cohesion of the grain boundary due to the anisotropic bonding which weakens the bonds in the grain boundary plane, butstrengthens those in planes perpendicular to the grain boundary. However, the structural relaxation effect is detrimental to the cohesion of the grain boundary. After synthesizing these two effects, Cr can act as a cohesion enhancer and Mn is an embrittler. (C) 2001 Acta Materialia Inc. Published by Elsevier Science Ltd. All rights reserved.

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Documento generato il 05/04/20 alle ore 23:04:54