Počet záznamů: 1
Modelling of Phase Equlibria in the Hf-V System\nBelow Room Temperature
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SYSNO ASEP 0480868 Druh ASEP J - Článek v odborném periodiku Zařazení RIV J - Článek v odborném periodiku Poddruh J Článek ve WOS Název Modelling of Phase Equlibria in the Hf-V System
Below Room TemperatureTvůrce(i) Vřešťál, Jan (UFM-A)
Pavlů, Jana (UFM-A)
Wdowik, U. D. (PL)
Šob, Mojmír (UFM-A) RID, ORCIDCelkový počet autorů 4 Zdroj.dok. Journal of Mining and Metallurgy Section B-Metallurgy - ISSN 1450-5339
Roč. 53, č. 3 (2017), s. 239-247Poč.str. 9 s. Jazyk dok. eng - angličtina Země vyd. RS - Srbsko Klíč. slova Laves phases ; Hf-V system ; Ab initio calculations ; Phase diagram ; Zero Kelvin ; CALPHAD method Vědní obor RIV BM - Fyzika pevných látek a magnetismus Obor OECD Condensed matter physics (including formerly solid state physics, supercond.) CEP GA14-15576S GA ČR - Grantová agentura ČR LQ1601 GA MŠMT - Ministerstvo školství, mládeže a tělovýchovy Institucionální podpora UFM-A - RVO:68081723 UT WOS 000417723500011 DOI 10.2298/JMMB170704032V Anotace Phase transformation from orthorhombic HfV2 structure to cubic C15 Laves phase structure, which occurs during heating
at about 114 K, is well known. In this contribution, a thermodynamic description of this phenomenon is provided supported
by ab initio calculations. We utilize the third generation of thermodynamic database extending the Scientific Group
Thermodata Europe (SGTE) unary data to zero Kelvin and demonstrate that it may be also applied to intermetallic phases.
The data from a recent thermodynamic assessment of the Hf-V system (valid for temperatures above 298.15 K) were used
and extended to zero Kelvin by the same method as it was used for unary data. Under the assumption of validity of harmonic
approximation and electronic contribution to the heat capacity, the thermodynamics of C15 and orthorhombic phase were
described. With the help of ab initio approach, we demonstrate that the HfV2 orthorhombic phase and C15 Laves phase are
mechanically stable at 0 K and thanks to entropy stabilization they are in equilibrium with pure element phases in the
temperature region of structural change.Pracoviště Ústav fyziky materiálu Kontakt Yvonna Šrámková, sramkova@ipm.cz, Tel.: 532 290 485 Rok sběru 2018
Počet záznamů: 1