Počet záznamů: 1
First principles calculations of lattice stabilities of complex structures
- 1.0177921 - UFM-A 20023112 RIV YU eng C - Konferenční příspěvek (zahraniční konf.)
Vřešťál, J. - Houserová, J. - Šob, Mojmír
First principles calculations of lattice stabilities of complex structures.
October Conference /34./. Bor: University of Belgrade Technical Faculty Bor, 2002 - (Markovic, Z.; Živkovic, D.), s. 564-569
[Int. October Conference /34./. Bor, Jugosl8vie (YU), 30.09.2002-03.10.2002]
Grant CEP: GA ČR GA106/02/0877
Výzkumný záměr: CEZ:AV0Z2041904
Klíčová slova: phase diagram * ab initio * sigma phase
Kód oboru RIV: CF - Fyzikální chemie a teoretická chemie
A recent model for calculating phase diagrams containing complex structures is briefly outlined. It is based on the CALPHAD approach complemented by the structural energy differences calculated ab initio. It is illustrated by the calculation of phase diagrams of Fe-Cr and Co-Cr systems containing the sigma-phase.
Trvalý link: http://hdl.handle.net/11104/0074824
Počet záznamů: 1