The effect of substitutional impurities on the evolution of FeAl diffusion layer

Date

1998-2-13

Author

Akdeniz, Mahmut Vedat
Mehrabov, Amdulla

Metadata

Show full item record

Item Usage Stats

345
views

0
downloads

The formation and growth characteristics of Fe based aluminide diffusion layers at the Fe-Al interface have been analysed in terms of interfacial interaction potentials based on the statistico-thermodynamical theory of multicomponent alloys combined with electronic theory in the pseudopotential approximation. The pairwise interatomic interaction potentials and partial ordering energies have been calculated to predict the effect of various alloying additions on the activity coefficient of Al atoms in α-Fe0.95(Al1-nXn)OM alloys where X = Si, Ti, Ge, Sb, Mg, Cu, Ca, Ag, Cd, Cr, Co, Zn, Mn, Ni, Pb or Bi and considered up to 1 at.%. The results of calculation show that the impurity elements with regard to their effect on the activity coefficient of Al atoms may be classified into two groups; I-group impurity elements, XI = Si, Ti, Ge, Sb, Mg, Cu, Ca, Ag, Cd, and Cr which decrease the activity coefficient of Al atoms, reduce the thickness of the Fe-Al intermetallic diffusion layer and II-group impurity elements, XII = Co, Zn, Mn, Ni, Pb and Bi, which increase the activity coefficient of Al atoms, tend to increase the thickness of diffusion layer at the Fe-Al interface. It has been established, in agreement with experimental observation, that the value of activity coefficient of Al atoms in α-Fe0.95(Al1-nXn)0.05 alloys has a strong influence on the formation and growth kinetics of interfacial diffusion layers at the Fe-Al interface. The analysis of the effects of type and content of XI and XII impurity elements on the activity coefficients of Al atoms, γAl/γOAl, in α-Fe0.95(Al1-nXn) alloys is in good qualitative agreement with the experimental results reported in the literature.

Subject Keywords

İntermetallic matrix composites, Heterogeneous binary-systems, Chemical-compound layers, Elementary substances, Metal, İnterface, Alloys, Microstructure

URI

https://hdl.handle.net/11511/28406

Journal

Acta Materialia

DOI

https://doi.org/10.1016/s1359-6454(97)00318-2

Collections

Department of Metallurgical and Materials Engineering, Article

Suggestions

OpenMETU
Core

The effect of peripheral circuits on the total pi-electron energies of cyclacenes Türker, Burhan Lemi (2000-01-01) Within the framework of the Huckel molecular orbital theory, certain linear models are developed to express the contribution of peripheral circuits of cyclacenes into their total pi -electron energies, which explain why cyclacenes exhibit the cryptoannulenic behavior as their peripheral circuits which are annulenic in character.
The electronic band structure of III (in, al, ga)-v (n, as, sb) compounds and ternary alloys Mohammad, Rezek Mahmoud Salim; Katırcıoğlu, Şenay; Department of Physics (2005) In this work, the electronic band structure of III (In, Al, Ga) - V (N, As, Sb) compounds and their ternary alloys have been investigated by density functional theory (DFT) within generalized gradient approximation (GGA) and empirical tight binding (ETB) calculations, respectively. The present DFT-GGA calculations have shown direct band gap structures in zinc-blende phase for InN, InAs, InSb, GaN, and GaAs. However, indirect band gap structures have been obtained for cubic AlN, AlSb and AlAs com- pounds; he...
The Effect of Ultrasonication on the Size and Morphology of Iron Oxide - Chitosan Nano and Microparticles Akin, Deniz; YAKAR, ARZU; Gündüz, Ufuk (2013-04-28) The aim of this study is to synthesize magnetic Fe3O4-chitosan nano and microparticles (Fe3O4-CPs) by suspension cross-linking and ionic gelation methods and investigate the effect of ultrasonication on the size, morphology and magnetic properties. The synthesized particles were characterized by transmission electron microscopy (TEM), dynamic light scattering (DLS) and vibrating sample magnetometry (VSM). The results showed that the ultrasonication decreased the mean particle diameter and enhanced magnetic ...
A density functional theory study of oxidation of benzene to phenol by N2O on Fe- and Co-ZSM-5 clusters Fellah, Mehmet Ferdi; Önal, Işık (2009-06-01) Density functional theory (DFT) calculations were carried out in the study of oxidation of benzene to phenol by N2O on relaxed [(SiH3)(4)AlO4M] (where M=Fe, Co) cluster models representing Fe- and Co-ZSM-5 surfaces. The catalytic cycle steps are completed for both Fe-ZSM-5 and Co-ZSM-5 clusters. The general trend of the results that were obtained in terms of activation barriers for the Fe-ZSM-5 cluster is in agreement with the experimental and theoretical literature. It was observed that the phenol formatio...
The Investigation of Electronic, Elastic and Vibrational Properties of an Interlanthanide Perovskite: PrYbO3 KADEROĞLU, ÇAĞIL; SÜRÜCÜ, GÖKHAN; ERKİŞİ, AYTAÇ (2017-10-01) The structural, mechanical, electronic and lattice dynamical properties of the PrYbO3 compound from the ABO(3)-type perovskite family have been investigated by performing the first-principles density functional theory calculations using the generalized-gradient approximation (GGA) with corrected Coulomb interactions (GGA+U). Structural parameters, formation energies and phase transition pressures for the five possible phases of this compound have been calculated. Then, the spin-dependent electronic band str...

Citation Formats

M. V. Akdeniz and A. Mehrabov, “The effect of substitutional impurities on the evolution of FeAl diffusion layer,” Acta Materialia, pp. 1185–1192, 1998, Accessed: 00, 2020. [Online]. Available: https://hdl.handle.net/11511/28406.