On the correlation between electron structure and short range atomic order in iron-based alloys

被引:149
作者
Gavriljuk, VG [1 ]
Shanina, BD
Berns, H
机构
[1] Ukrainian Acad Sci, Inst Met Phys, UA-252142 Kiev, Ukraine
[2] Ruhr Univ Bochum, Lehrstuhl Werkstofftech, D-44780 Bochum, Germany
[3] Inst Semicond Phys, UA-252028 Kiev, Ukraine
关键词
ab initio calculation; electron spin resonance; Mossbauer effect; steel austenite; atomic order;
D O I
10.1016/S1359-6454(00)00192-0
中图分类号
T [工业技术];
学科分类号
08 ;
摘要
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 were obtained 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 data on 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.
引用
收藏
页码:3879 / 3893
页数:15
相关论文
共 62 条
  • [31] ILINSKY AG, 1995, METAL PHYS ADV TECHN, V17, P29
  • [32] Iveronova V. I., 1977, SHORT RANGE ORDER SO
  • [33] Phase transformations in a super ferritic stainless steel containing 28% Cr after nitrogen ion implantation
    Kliauga, AM
    Pohl, M
    Cordier-Robert, C
    Foct, J
    [J]. JOURNAL OF MATERIALS SCIENCE, 1999, 34 (16) : 4065 - 4073
  • [34] KUNTZLER R, 1973, PHYS STATUS SOLIDI B, V58, P519
  • [35] LITVINOV VS, 1986, FIZ MET METALLOVED+, V61, P361
  • [36] A QUASI-CHEMICAL TREATMENT OF INTERSTITIAL SOLID SOLUTIONS - IT APPLICATION TO CARBON AUSTENITE
    MCLELLAN, RB
    DUNN, WW
    [J]. JOURNAL OF PHYSICS AND CHEMISTRY OF SOLIDS, 1969, 30 (11) : 2631 - &
  • [37] MCLELLAN RB, 1970, SCRIPTA METALL MATER, V4, P967, DOI 10.1016/0036-9748(70)90040-2
  • [38] THERMODYNAMICS OF AUSTENITE
    MCLELLAN, RB
    [J]. SCRIPTA METALLURGICA, 1970, 4 (05): : 321 - &
  • [39] Men'shikov A. Z., 1971, Zhurnal Eksperimental'noi i Teoreticheskoi Fiziki, V61, P311
  • [40] MENSHIKOV AZ, 1984, SOV PHYS JETP, V63, P190