About: Laves phase in the V-Zr system below room temperature: Stability analysis using ab initio results and phase diagram

Facets (new session)
Description
Metadata
Settings
- owl:sameAs
- Inference Rule:

About: Laves phase in the V-Zr system below room temperature: Stability analysis using ab initio results and phase diagram Goto Sponge NotDistinct Permalink

An Entity of Type : http://linked.opendata.cz/ontology/domain/vavai/Vysledek, within Data Space : linked.opendata.cz associated with source document(s)

Attributes	Values
rdf:type	skos:Concept http://linked.opendata.cz/ontology/domain/vavai/Vysledek
rdfs:seeAlso	http://www.sciencedirect.com/science/article/pii/S0364591613000783#
Description	V–Zr is a well known system where a phase transformation from rhombohedral V2Zr structure to cubic C15 Laves phase occurs during heating at about 115 K. Here we provide a thermodynamic description of this phenomenon, supported by ab initio calculations. We utilize our new method of extension of the Scientific Group Thermodata Europe (SGTE) unary thermodynamic database to zero Kelvin and demonstrate that it may be applied also to complicated intermetallic phases. To keep our analysis on equal footing with previous results for higher temperatures, data regarding a recent thermodynamic assessment of the V–Zr system (valid for temperatures above 298.15 K) were reassessed. With the help of ab initio approach, we demonstrate that the ZrV2 rhombohedral phase is not stable at 0 K and transforms to C15 Laves phase. The stability of C15 Laves phase is confirmed by analysis of elastic stability criteria and phonon spectra calculations. V–Zr is a well known system where a phase transformation from rhombohedral V2Zr structure to cubic C15 Laves phase occurs during heating at about 115 K. Here we provide a thermodynamic description of this phenomenon, supported by ab initio calculations. We utilize our new method of extension of the Scientific Group Thermodata Europe (SGTE) unary thermodynamic database to zero Kelvin and demonstrate that it may be applied also to complicated intermetallic phases. To keep our analysis on equal footing with previous results for higher temperatures, data regarding a recent thermodynamic assessment of the V–Zr system (valid for temperatures above 298.15 K) were reassessed. With the help of ab initio approach, we demonstrate that the ZrV2 rhombohedral phase is not stable at 0 K and transforms to C15 Laves phase. The stability of C15 Laves phase is confirmed by analysis of elastic stability criteria and phonon spectra calculations. (en)
Title	Laves phase in the V-Zr system below room temperature: Stability analysis using ab initio results and phase diagram Laves phase in the V-Zr system below room temperature: Stability analysis using ab initio results and phase diagram (en)
skos:prefLabel	Laves phase in the V-Zr system below room temperature: Stability analysis using ab initio results and phase diagram Laves phase in the V-Zr system below room temperature: Stability analysis using ab initio results and phase diagram (en)
skos:notation	RIV/00216224:14740/14:00073487!RIV15-MSM-14740___
http://linked.open...avai/riv/aktivita	P
http://linked.open...avai/riv/aktivity	P(ED1.1.00/02.0068), P(GAP108/10/1908)
http://linked.open...iv/cisloPeriodika	March
http://linked.open...vai/riv/dodaniDat	2015
http://linked.open...aciTvurceVysledku	Vřešťál, Jan Pavlů, Jana Šob, Mojmír Štrof, Jan
http://linked.open.../riv/druhVysledku	J - Článek v odborném periodiku
http://linked.open...iv/duvernostUdaju	S - Úplné a pravdivé údaje nepodléhající ochraně podle zvláštních právních předpisů
http://linked.open...titaPredkladatele	Masarykova univerzita / Středoevropský technologický institut
http://linked.open...dnocenehoVysledku	25771
http://linked.open...ai/riv/idVysledku	RIV/00216224:14740/14:00073487
http://linked.open...riv/jazykVysledku	eng - angličtina
http://linked.open.../riv/klicovaSlova	ab initio calculations; Laves and rhombohedral phases; thermodynamic modelling (en)
http://linked.open.../riv/klicoveSlovo	ab initio calculations thermodynamic modelling Laves and rhombohedral phases
http://linked.open...odStatuVydavatele	US - Spojené státy americké
http://linked.open...ontrolniKodProRIV	[EC7F9DB8BC49]
http://linked.open...i/riv/nazevZdroje	CALPHAD-COMPUTER COUPLING OF PHASE DIAGRAMS AND THERMOCHEMISTRY
http://linked.open...in/vavai/riv/obor	BJ
http://linked.open...ichTvurcuVysledku	4 (xsd:int)
http://linked.open...cetTvurcuVysledku	6 (xsd:int)
http://linked.open...vavai/riv/projekt	Thermodynamics of intermetallic phases using combined theoretical and experimental approach Central european institute of technology
http://linked.open...UplatneniVysledku	2014
http://linked.open...v/svazekPeriodika	44
http://linked.open...iv/tvurceVysledku	Buršík, Jiří Vřešťál, Jan Šob, Mojmír Pavlů, Jana Wdowik, Urszula D. Štrof, Jan
http://linked.open...ain/vavai/riv/wos	000331499600010
issn	0364-5916
number of pages	8 (xsd:int)
http://bibframe.org/vocab/doi	10.1016/j.calphad.2013.08.003
http://localhost/t...ganizacniJednotka	14740

Faceted Search & Find service v1.16.118 as of Jun 21 2024

Alternative Linked Data Documents: ODE Content Formats:

RDF

ODATA

Microdata

About

OpenLink Virtuoso version 07.20.3240 as of Jun 21 2024, on Linux (x86_64-pc-linux-gnu), Single-Server Edition (126 GB total memory, 48 GB memory in use)
Data on this page belongs to its respective rights holders.
Virtuoso Faceted Browser Copyright © 2009-2024 OpenLink Software