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Akademický článek

Modelling of phase equilibria in the Hf-V system below room temperature

Autor: Vřešťál J., Pavlů J., Wdowik U.D., Šob M.

Publikováno v: Journal of Mining and Metallurgy. Section B: Metallurgy, Vol 53, Iss 3, Pp 239-247 (2017)

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 i

Externí odkaz: https://doaj.org/article/533ea04567124abdb87d1d1521ac08a1

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Akademický článek

Ab initio study of C14 laves phases in Fe-based systems

Autor: Pavlu J., Šob M.

Publikováno v: Journal of Mining and Metallurgy. Section B: Metallurgy, Vol 48, Iss 3, Pp 395-401 (2012)

Structural properties and energetics of Fe-based C14 Laves phases at various compositions (i.e. Fe2Fe, Fe2X, X2Fe, X2X, where X stands for Si, Cr, Mo, W, Ta) were investigated using the pseudopotential VASP (Vienna Ab initio Simulation Package) code

Externí odkaz: https://doaj.org/article/10d3eec5694f4051bf8f9f10296a1048

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Akademický článek

Energetics and phase diagrams of Fe-Cr and Co-Cr systems from first principles

Autor: Vreštzál J., Houserová J., Šob M.

Publikováno v: Journal of Mining and Metallurgy. Section B: Metallurgy, Vol 38, Iss 3-4, Pp 205-211 (2002)

The first principles computations of the total energies of complex phases have been addressed recently. The structural energy differences, calculated by FLAPW (Full potential augmented plane wave) method, enable us to utilize a more complete physical

Externí odkaz: https://doaj.org/article/ab4325d3f0f3459fa6e8c379b4eff40c

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