Detailed Information on Publication Record
2001
Recent progres in modelling of sigma-phase
VŘEŠŤÁL, JanBasic information
Original name
Recent progres in modelling of sigma-phase
Authors
VŘEŠŤÁL, Jan
Edition
Archives of Metallurgy, Krakow, Polish Acad.Sci.Comm.Metallurgy,Krakow, 2001, 0860-7052
Other information
Language
English
Type of outcome
Článek v odborném periodiku
Field of Study
10403 Physical chemistry
Country of publisher
Poland
Confidentiality degree
není předmětem státního či obchodního tajemství
Impact factor
Impact factor: 0.118
RIV identification code
RIV/00216224:14330/01:00005214
Organization unit
Faculty of Informatics
Keywords in English
Thermodynamics; phase diagrams; electronic structure; iron; chromium; sigma-phase
Změněno: 24/5/2002 09:28, RNDr. JUDr. Vladimír Šmíd, CSc.
Abstract
V originále
The development of models of intermetallic sigma-phase for calculation of phase diagram is discussed. The physical model of sigma-phase is proposed and tested on the Fe-Cr system. The model is based on two sublattice model for solid solution phase, but structure energy difference for end-members is based on the results of calculations of electronic structure from the first principles. Therefore, the energetic parameters of model have definit physical meaning. Entropy part of Gibbs energy of elements in sigma-phase structure and excess Gibbs energy of mixing of sigma-phase have still to be adjusted to phase equilibrium data. The model could be extended to other complex phases.
Links
| OC P3.10, research and development project |
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| OC P3.90, research and development project |
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