Modelling of Phase Equlibria in the Hf-V SystemnBelow Room Temperature

Result code in IS VaVaI
<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F68081723%3A_____%2F17%3A00480868" target="_blank" >RIV/68081723:_____/17:00480868 - isvavai.cz</a>
Result on the web
<a href="http://dx.doi.org/10.2298/JMMB170704032V" target="_blank" >http://dx.doi.org/10.2298/JMMB170704032V</a>
DOI - Digital Object Identifier
<a href="http://dx.doi.org/10.2298/JMMB170704032V" target="_blank" >10.2298/JMMB170704032V</a>

Result language
angličtina
Original language name
Modelling of Phase Equlibria in the Hf-V SystemnBelow Room Temperature
Original language description
Phase transformation from orthorhombic HfV2 structure to cubic C15 Laves phase structure, which occurs during heatingnat about 114 K, is well known. In this contribution, a thermodynamic description of this phenomenon is provided supportednby ab initio calculations. We utilize the third generation of thermodynamic database extending the Scientific GroupnThermodata Europe (SGTE) unary data to zero Kelvin and demonstrate that it may be also applied to intermetallic phases.nThe data from a recent thermodynamic assessment of the Hf-V system (valid for temperatures above 298.15 K) were usednand extended to zero Kelvin by the same method as it was used for unary data. Under the assumption of validity of harmonicnapproximation and electronic contribution to the heat capacity, the thermodynamics of C15 and orthorhombic phase werendescribed. With the help of ab initio approach, we demonstrate that the HfV2 orthorhombic phase and C15 Laves phase arenmechanically stable at 0 K and thanks to entropy stabilization they are in equilibrium with pure element phases in thentemperature region of structural change.
Czech name
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Czech description
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Type
J<sub>imp</sub> - Article in a specialist periodical, which is included in the Web of Science database
CEP classification
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OECD FORD branch
10302 - Condensed matter physics (including formerly solid state physics, supercond.)

Project
Result was created during the realization of more than one project. More information in the Projects tab.
Continuities
P - Projekt vyzkumu a vyvoje financovany z verejnych zdroju (s odkazem do CEP)

Publication year
2017
Confidentiality
S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů

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