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@inproceedings{634150, author = {Chvátalová, Květuše and Vřešťál, Jan and Houserová, Jana and Šob, Mojmír}, address = {Praha}, booktitle = {Book of abstracts of European congress on advanced materials and processes - EUROMAT}, edition = {1.}, keywords = {sigma phase; Fe-Cr-W; ab initio}, location = {Praha}, title = {First principles calculations of energetics of sigma phase formation and thermodynamic modelling in Cr-Fe-W system}, year = {2005} }
TY - JOUR ID - 634150 AU - Chvátalová, Květuše - Vřešťál, Jan - Houserová, Jana - Šob, Mojmír PY - 2005 TI - First principles calculations of energetics of sigma phase formation and thermodynamic modelling in Cr-Fe-W system CY - Praha KW - sigma phase KW - Fe-Cr-W KW - ab initio N2 - Total energies of sigma phase in Cr-Fe, Cr-W and Fe-W systems were calculated ab initio and used as a basis for the explanation of its heat of formation. Thermodynamic modelling of sigma phase in the ternary Cr-Fe-W system based on ab initio calculation results was performed. ER -
CHVÁTALOVÁ, Květuše, Jan VŘEŠŤÁL, Jana HOUSEROVÁ and Mojmír ŠOB. First principles calculations of energetics of sigma phase formation and thermodynamic modelling in Cr-Fe-W system. In \textit{Book of abstracts of European congress on advanced materials and processes - EUROMAT}. 1st ed. Praha, 2005.
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