About: Phase diagram calculations in the Co-Mo and Fe-Mo systems using first-principles results for the sigma phase

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About: Phase diagram calculations in the Co-Mo and Fe-Mo systems using first-principles results for the sigma phase Goto Sponge NotDistinct Permalink

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rdf:type	skos:Concept http://linked.opendata.cz/ontology/domain/vavai/Vysledek
Description	Calculation of phase diagram of Co-Mo and Fe-Mo systems by means of combination of ab initio electronic structure calculations and CALPHAD approach. Ab initio calculations of total energy differences between the sigma phase and standard element reference (SER) structures for pure constitutents are accomplished by means of full potential linearized augmented plane wave (FLAPW) method in the generalized gradient approximation (GGA). Calculation of phase diagram of Co-Mo and Fe-Mo systems by means of combination of ab initio electronic structure calculations and CALPHAD approach. Ab initio calculations of total energy differences between the sigma phase and standard element reference (SER) structures for pure constitutents are accomplished by means of full potential linearized augmented plane wave (FLAPW) method in the generalized gradient approximation (GGA). (en)
Title	Phase diagram calculations in the Co-Mo and Fe-Mo systems using first-principles results for the sigma phase Phase diagram calculations in the Co-Mo and Fe-Mo systems using first-principles results for the sigma phase (en)
skos:prefLabel	Phase diagram calculations in the Co-Mo and Fe-Mo systems using first-principles results for the sigma phase Phase diagram calculations in the Co-Mo and Fe-Mo systems using first-principles results for the sigma phase (en)
skos:notation	RIV/00216224:14310/05:00012862!RIV10-MSM-14310___
http://linked.open...avai/riv/aktivita	P Z
http://linked.open...avai/riv/aktivity	P(GA106/02/0877), P(GP106/03/P002), P(IBS2041105), Z(AV0Z20410507), Z(MSM0021622410)
http://linked.open...iv/cisloPeriodika	2
http://linked.open...vai/riv/dodaniDat	2010
http://linked.open...aciTvurceVysledku	Vřešťál, Jan Pavlů, Jana Šob, Mojmír
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 / Přírodovědecká fakulta
http://linked.open...dnocenehoVysledku	535861
http://linked.open...ai/riv/idVysledku	RIV/00216224:14310/05:00012862
http://linked.open...riv/jazykVysledku	eng - angličtina
http://linked.open.../riv/klicovaSlova	Ab initio calculation; sigma phase; phase diagram (en)
http://linked.open.../riv/klicoveSlovo	sigma phase phase diagram Ab initio calculation
http://linked.open...odStatuVydavatele	CH - Švýcarská konfederace
http://linked.open...ontrolniKodProRIV	[E67F7B124E20]
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	3 (xsd:int)
http://linked.open...cetTvurcuVysledku	3 (xsd:int)
http://linked.open...vavai/riv/projekt	Experimental and theoretical study of stability of intermetallic phases based on transition metals Study of stability of intermetallic phases based on transition metals by ab initio methods Surfaces and interfaces in structural materials - applications of modern technologies and computer modelling
http://linked.open...UplatneniVysledku	2005
http://linked.open...v/svazekPeriodika	29
http://linked.open...iv/tvurceVysledku	Vřešťál, Jan Šob, Mojmír Pavlů, Jana
http://linked.open...n/vavai/riv/zamer	Physical properties of advanced materials in relation to their microstructure and processing Physical and chemical properties of advanced materials and structures
issn	0364-5916
number of pages	7 (xsd:int)
http://localhost/t...ganizacniJednotka	14310

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