In:
Solid State Phenomena, Trans Tech Publications, Ltd., Vol. 124-126 ( 2007-6), p. 1625-1628
Kurzfassung:
An ab initio study was carried out on interface energies at coherent interfaces between bcc
Fe and MXs (NaCl structure, M = Ti, Zr, Hf, V, Nb, Ta, X=C, N). The interface energies have positive values for carbides and nitrides of group IVB metals (Ti, Zr, Hf), while they have negative values for
carbides and nitrides of group VB metals (V, Nb, Ta). Influence of bond energy was estimated using the discrete lattice plane/nearest neighbor broken bond (DLP/NNBB) model. It was found that the
dependence of interface energy on the type of carbides and nitrides was closely related to changes of the bond energies between Fe, M and X(=C, N) atoms before and after formation of the interfaces
Fe/MX.
Materialart:
Online-Ressource
ISSN:
1662-9779
DOI:
10.4028/www.scientific.net/SSP.124-126
DOI:
10.4028/www.scientific.net/SSP.124-126.1625
Sprache:
Unbekannt
Verlag:
Trans Tech Publications, Ltd.
Publikationsdatum:
2007
ZDB Id:
2051138-3
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