Paper Title:
An Ab Initio Study of the Energies of Coherent Interfaces Formed between bcc Iron and Carbides or Nitrides of Transition Metals
  Abstract

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.

  Info
Periodical
Solid State Phenomena (Volumes 124-126)
Edited by
Byung Tae Ahn, Hyeongtag Jeon, Bo Young Hur, Kibae Kim and Jong Wan Park
Pages
1625-1628
DOI
10.4028/www.scientific.net/SSP.124-126.1625
Citation
W. S. Jung, S. H. Chung, H. P. Ha, J. Y. Byun, "An Ab Initio Study of the Energies of Coherent Interfaces Formed between bcc Iron and Carbides or Nitrides of Transition Metals", Solid State Phenomena, Vols. 124-126, pp. 1625-1628, 2007
Online since
June 2007
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$32.00
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