VŘEŠŤÁL, Jan. First Principles Calculations Results in Phase Diagram Calculations. In First Yugoslav Symposium on Thermodynamics and Phase Diagrams. Bor, 2001, p. 2.
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Basic information
Original name First Principles Calculations Results in Phase Diagram Calculations
Authors VŘEŠŤÁL, Jan.
Edition Bor, First Yugoslav Symposium on Thermodynamics and Phase Diagrams, p. 2-2, 2001.
Other information
Original language English
Type of outcome Proceedings paper
Field of Study 20303 Thermodynamics
Country of publisher Serbia
Confidentiality degree is not subject to a state or trade secret
Organization unit Faculty of Science
Keywords in English Thermodynamics; phase diagrams; first-principles calculations
Tags first-principles calculations, Phase Diagrams, Thermodynamics
Changed by Changed by: RNDr. JUDr. Vladimír Šmíd, CSc., učo 1084. Changed: 31/5/2003 17:45.
Abstract
The first principles computations of total energies of complex phases was used for modelling of intermetallic phases in CALPHAD method of calculations of phase diagrams.
Links
OC P3.10, research and development projectName: Elektronová struktura a atomová konfigurace rozlehlých defektů v kovových materiálech
OC P3.90, research and development projectName: Energetika tvorby sigma-fáze v soustavách tranzitních kovů
Investor: Ministry of Education, Youth and Sports of the CR, Energetics of sigma-phase formation in transition metals systems
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