ISSN:
1662-9779
Source:
Scientific.Net: Materials Science & Technology / Trans Tech Publications Archiv 1984-2008
Topics:
Physics
Notes:
An ab initio study was carried out on interface energies at coherent interfaces between bccFe and MXs (NaCl structure, M = Ti, Zr, Hf, V, Nb, Ta, X=C, N). The interface energies have positivevalues for carbides and nitrides of group IVB metals (Ti, Zr, Hf), while they have negative values forcarbides and nitrides of group VB metals (V, Nb, Ta). Influence of bond energy was estimated usingthe discrete lattice plane/nearest neighbor broken bond (DLP/NNBB) model. It was found that thedependence of interface energy on the type of carbides and nitrides was closely related to changes ofthe bond energies between Fe, M and X(=C, N) atoms before and after formation of the interfacesFe/MX
Type of Medium:
Electronic Resource
URL:
http://www.tib-hannover.de/fulltexts/2011/0528/02/24/transtech_doi~10.4028%252Fwww.scientific.net%252FSSP.124-126.1625.pdf
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