Effect of carbon vacancies on thermodynamic properties of TiC-ZrC mixed carbides
2014 (English)In: Calphad, ISSN 0364-5916, E-ISSN 1873-2984, Vol. 46, 87-91 p.Article in journal (Refereed) Published
Thermodynamic properties of a TiZrC mixed carbide system are investigated by first-principles methods within density functional theory. Carbon vacancies are found to have a significant contribution to the thermodynamics of TiZrC mixed carbides. The temperature effect on the thermodynamic properties of the system is calculated taking into consideration the corresponding electronic and vibrational thermal excitations.
Place, publisher, year, edition, pages
2014. Vol. 46, 87-91 p.
Ab initio calculation, Carbides, Thermodynamics, Metal and alloys, Phase diagram
Metallurgy and Metallic Materials
IdentifiersURN: urn:nbn:se:kth:diva-150908DOI: 10.1016/j.calphad.2014.02.005ISI: 000340325700009ScopusID: 2-s2.0-84896514390OAI: oai:DiVA.org:kth-150908DiVA: diva2:746771
QC 201409152014-09-152014-09-112014-09-15Bibliographically approved