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Site preference and mechanical properties of Cr23-xTxC6 and Fe21T2C6 (T = Mo, W)
KTH, School of Industrial Engineering and Management (ITM), Materials Science and Engineering, Materials Process Science.
2006 (English)In: Acta Materialia, ISSN 1359-6454, E-ISSN 1873-2453, Vol. 54, no 18, 4653-4658 p.Article in journal (Refereed) Published
Abstract [en]

The site preference, stability, crystal structure and mechanical properties of Cr23-xTxC6 and Fe21T2C6 (T = Mo, W) carbides have been investigated using inverted pair potentials. Among the four different kinds of metal sites in these compounds, the most preferential sites for Mo atoms or W atoms are 8c sites. The result of stability indicates that each of the Mo atoms and W atoms significantly increases the stability of Cr23C6 and Fe23C6. The stability of Fe21T2C6 is lower than that of Cr21T2C6 and the carbides containing W atoms are more stable than those containing Mo atoms. The calculated structural properties are in good agreement with experimental data. Further-more, the mechanical properties have also been evaluated and the results indicate that Mo atoms or W atoms can improve the hardenability of the systems.

Place, publisher, year, edition, pages
2006. Vol. 54, no 18, 4653-4658 p.
Keyword [en]
carbides, lattice inversion, site preference, crystal structure, mechanical properties, steels, cr, carbides, stability, chromium
URN: urn:nbn:se:kth:diva-16079DOI: 10.1016/j.actamat.2006.03.059ISI: 000241435900001ScopusID: 2-s2.0-33748985046OAI: diva2:334121
QC 20100525Available from: 2010-08-05 Created: 2010-08-05Bibliographically approved

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