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Titolo:
On the correlation between electron structure and short range atomic orderin iron-based alloys
Autore:
Gavriljuk, VG; Shanina, BD; Berns, H;
Indirizzi:
Ukrainian Acad Sci, Inst Met Phys, UA-252142 Kiev, Ukraine Ukrainian Acad Sci Kiev Ukraine UA-252142 Phys, UA-252142 Kiev, Ukraine Ruhr Univ Bochum, Lehrstuhl Werkstofftech, D-44780 Bochum, Germany Ruhr Univ Bochum Bochum Germany D-44780 offtech, D-44780 Bochum, Germany Inst Semicond Phys, UA-252028 Kiev, Ukraine Inst Semicond Phys Kiev Ukraine UA-252028 Phys, UA-252028 Kiev, Ukraine
Titolo Testata:
ACTA MATERIALIA
fascicolo: 15, volume: 48, anno: 2000,
pagine: 3879 - 3893
SICI:
1359-6454(20000925)48:15<3879:OTCBES>2.0.ZU;2-4
Fonte:
ISI
Lingua:
ENG
Soggetto:
FCC GAMMA-IRON; FE-N; PHASE-TRANSFORMATIONS; STAINLESS-STEELS; SPIN-RESONANCE; NITROGEN; AUSTENITE; CARBON; PSEUDOPOTENTIALS; EXCHANGE;
Keywords:
ab initio calculation; electron spin resonance; Mossbauer effect; steel austenite; atomic order;
Tipo documento:
Article
Natura:
Periodico
Settore Disciplinare:
Physical, Chemical & Earth Sciences
Engineering, Computing & Technology
Citazioni:
62
Recensione:
Indirizzi per estratti:
Indirizzo: Gavriljuk, VG Ukrainian Acad Sci, Inst Met Phys, UA-252142 Kiev, Ukraine Ukrainian Acad Sci Kiev Ukraine UA-252142 42 Kiev, Ukraine
Citazione:
V.G. Gavriljuk et al., "On the correlation between electron structure and short range atomic orderin iron-based alloys", ACT MATER, 48(15), 2000, pp. 3879-3893

Abstract

The experimental data on the concentration of free electrons in fee iron-based alloys, results of theoretical calculations on the electronic structure and experimental data of atomic distribution are analysed. The electron structure of iron-based substitutional solid solutions and CrNi austenitic steels alloyed by Mn, Mo, Cu, Si, Al and C, N was studied by means of the measurement of conduction electron spin resonance. The electron exchange in binary fee Fe-N and Fe-C alloys was also calculated using an ab initio norm-conserving pseudopotential method. It is shown that Ni, Cu, Si and Al increase the concentration of free electrons, whereas Cr, Mn and Mo decrease it. Theoretical calculations as well as experimental data show that nitrogen in fee iron and iron-based solid solutions increases the state density at the Fermi surface, whereas carbon contributes its electrons to the states below the Fermi surface. Mossbauer spectroscopy was used to study the distribution of carbon and nitrogen in binary fee Fe-C and Fe-N alloys, while the data on the distribution of d-solutes in multicomponent solid solutions wereobtained from the analysis of the contributions of different electronic subsystems, namely free electrons, isolated localized d-electrons (single solute d-atoms) and superparamagnetic clusters (clusters of d-atoms), to the temperature dependence of the magnetic susceptibility. The results of studies concerning the atomic distribution are consistent with the available dataon the short range order in iron-based alloys. The following correlation is found: an increase in the concentration of free electrons assists the short range atomic ordering in iron-based alloys, whereas the localization of electrons promotes clustering of solute atoms. The state of atomic order influences properties like austenite stability, corrosion resistance and strength. (C) 2000 Acta Metallurgica Inc. Published by Elsevier Science Ltd. All rights reserved.

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Documento generato il 01/10/20 alle ore 00:43:20