Original title: Ab initio calculations of stability of phases and construction of phase diagrams
Authors: Vřešťál, J. ; Houserová, J. ; Šob, Mojmír
Document type: Papers
Conference/Event: Seminar Diffusion and Thermodynamics of Materials /8./, Brno (CZ), 2002-09-04 / 2002-09-06
Year: 2002
Language: eng
Abstract: Phase diagrams of Fe-Cr and Co-Cr systems containing the intermetallic sigma-phase (5 inequivalent sublattices, 30 atoms in repeat cells) are determined by means of the CALPHAD method using ab initio calculated structural energy differences.
Keywords: ab initio; phase diagram; sigma phase
Project no.: CEZ:AV0Z2041904 (CEP), GA106/02/0877 (CEP)
Funding provider: GA ČR
Host item entry: Proceedings of the Seminar Diffusion and Thermodynamics of Materials /8./

Institution: Institute of Physics of Materials AS ČR (web)
Document availability information: Fulltext is available at the institute of the Academy of Sciences.
Original record: http://hdl.handle.net/11104/0074806

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Research > Institutes ASCR > Institute of Physics of Materials
Conference materials > Papers