PAVLŮ, Jana, Jan VŘEŠŤÁL and Mojmír ŠOB. Stability of Laves phases in the Cr-Zr system. CALPHAD-COMPUTER COUPLING OF PHASE DIAGRAMS AND THERMOCHEMISTRY. OXFORD: PERGAMON-ELSEVIER SCIENCE LTD, 2009, vol. 33, No 2, p. 382; 387, 6 pp. ISSN 0364-5916.
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Basic information
Original name Stability of Laves phases in the Cr-Zr system
Name in Czech Stabilita Lavesových fází v soustavě Cr-Zr
Authors PAVLŮ, Jana (203 Czech Republic, belonging to the institution), Jan VŘEŠŤÁL (203 Czech Republic, guarantor, belonging to the institution) and Mojmír ŠOB (203 Czech Republic, belonging to the institution).
Edition CALPHAD-COMPUTER COUPLING OF PHASE DIAGRAMS AND THERMOCHEMISTRY, OXFORD, PERGAMON-ELSEVIER SCIENCE LTD, 2009, 0364-5916.
Other information
Original language English
Type of outcome Article in a journal
Field of Study 20303 Thermodynamics
Country of publisher United Kingdom of Great Britain and Northern Ireland
Confidentiality degree is not subject to a state or trade secret
Impact factor Impact factor: 1.904
RIV identification code RIV/00216224:14310/09:00028445
Organization unit Faculty of Science
UT WoS 000266897700012
Keywords in English Ab initio calculations; Laves phases; Chromium-zirconium system; Phase diagram; CALPHAD
Tags Ab initio calculations, CALPHAD, Chromium-zirconium system, Laves phases, Phase diagram
Tags International impact, Reviewed
Changed by Changed by: doc. Mgr. Jana Pavlů, Ph.D., učo 10394. Changed: 30/3/2012 14:49.
Abstract
The total energies of all three structural forms of Laves phases (C14,C15 and C36) were calculated ab initio, the relative stability of Cr2Zr polytypes was discussed and calculated values were used in two- and three-sublattice models for the re-modelling of Gibbs energies of Laves phases and for calculation of phase diagram.
Abstract (in Czech)
Celkové energie všech tří strukturních forem Lavesových fází (C14, C15 a C36) byly vypočteny ab initio, byla diskutována relativní stabilita polytypů Cr2Zr a vypočtené hodnoty byly použity ve dvou- a tří-mřížkovém modelu pro přemodelování Gibbsových energií Lavesových fází a pro výpočet fázového diagramu.
Links
GA106/07/1078, research and development projectName: Teoretické a experimentální studium termodynamických vlastností intermetalických fází na bázi přechodných kovů
Investor: Czech Science Foundation, Theoretical and experimental investigations of thermodynamic properties in transition metal based intermetallic phases
MSM0021622410, plan (intention)Name: Fyzikální a chemické vlastnosti pokročilých materiálů a struktur
Investor: Ministry of Education, Youth and Sports of the CR, Physical and chemical properties of advanced materials and structures
OC 164, research and development projectName: Víceúrovňové modelování struktury a vlastností intermetalických fází
Investor: Ministry of Education, Youth and Sports of the CR, Multiscale modelling of structure and properties of intermetallic phases
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