Other formats:
BibTeX
LaTeX
RIS
@article{385613, author = {Vřešťál, Jan}, article_location = {Krakow}, article_number = {3}, keywords = {Thermodynamics; phase diagrams; electronic structure; iron; chromium; sigma-phase}, language = {eng}, issn = {0860-7052}, journal = {Archives of Metallurgy}, title = {Recent progres in modelling of sigma-phase}, volume = {46}, year = {2001} }
TY - JOUR ID - 385613 AU - Vřešťál, Jan PY - 2001 TI - Recent progres in modelling of sigma-phase JF - Archives of Metallurgy VL - 46 IS - 3 SP - 239 EP - 239 PB - Polish Acad.Sci.Comm.Metallurgy,Krakow SN - 08607052 KW - Thermodynamics KW - phase diagrams KW - electronic structure KW - iron KW - chromium KW - sigma-phase N2 - 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. ER -
VŘEŠŤÁL, Jan. Recent progres in modelling of sigma-phase. \textit{Archives of Metallurgy}. Krakow: Polish Acad.Sci.Comm.Metallurgy,Krakow, 2001, vol.~46, No~3, p.~239-247. ISSN~0860-7052.
|