About: Elasticity and stability of Fe-P ordered systems from first principles

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

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rdf:type	skos:Concept http://linked.opendata.cz/ontology/domain/vavai/Vysledek
Description	Elastic properties of Fe-P ordered system (the bulk modulus and the theoretical strength under isotropic tension) are computed by means of ab initio computational program code VASP. Different configurations and relative amounts of constituent atoms are considered in the crystal cells of known stable phases as well as of some hypothetical structures. The influence of a relative content of P in the alloy on computed properties is studied. Magnetic ordering is taken into account by means of collinear spin--polarization. The results of calculations reveal that, somewhat surprisingly, no dramatic changes of elastic moduli are to be expected up to the 67% atomic concentration of P. Elastic properties of Fe-P ordered system (the bulk modulus and the theoretical strength under isotropic tension) are computed by means of ab initio computational program code VASP. Different configurations and relative amounts of constituent atoms are considered in the crystal cells of known stable phases as well as of some hypothetical structures. The influence of a relative content of P in the alloy on computed properties is studied. Magnetic ordering is taken into account by means of collinear spin--polarization. The results of calculations reveal that, somewhat surprisingly, no dramatic changes of elastic moduli are to be expected up to the 67% atomic concentration of P. (en) Elastic properties of Fe-P ordered system (the bulk modulus and the theoretical strength under isotropic tension) are computed by means of ab initio computational program code VASP. Different configurations and relative amounts of constituent atoms are considered in the crystal cells of known stable phases as well as of some hypothetical structures. The influence of a relative content of P in the alloy on computed properties is studied. Magnetic ordering is taken into account by means of collinear spin--polarization. The results of calculations reveal that, somewhat surprisingly, no dramatic changes of elastic moduli are to be expected up to the 67% atomic concentration of P. (cs)
Title	Elasticity and stability of Fe-P ordered systems from first principles Pružnost a stabilita uspořádaných systémů Fe-P z prvních principů (cs) Elasticity and stability of Fe-P ordered systems from first principles (en)
skos:prefLabel	Elasticity and stability of Fe-P ordered systems from first principles Pružnost a stabilita uspořádaných systémů Fe-P z prvních principů (cs) Elasticity and stability of Fe-P ordered systems from first principles (en)
skos:notation	RIV/00216305:26210/05:PU46538!RIV06-GA0-26210___
http://linked.open.../vavai/riv/strany	135-272
http://linked.open...avai/riv/aktivita	P
http://linked.open...avai/riv/aktivity	P(GP106/02/D101)
http://linked.open...iv/cisloPeriodika	3
http://linked.open...vai/riv/dodaniDat	2006
http://linked.open...aciTvurceVysledku	Černý, Miroslav Pokluda, Jaroslav
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	Vysoké učení technické v Brně / Fakulta strojního inženýrství
http://linked.open...dnocenehoVysledku	519850
http://linked.open...ai/riv/idVysledku	RIV/00216305:26210/05:PU46538
http://linked.open...riv/jazykVysledku	eng - angličtina
http://linked.open.../riv/klicovaSlova	Fe-P ordered systems, bulk modulus, stability, elasticity, ab initio calculations. (en)
http://linked.open.../riv/klicoveSlovo	stability Fe-P ordered systems elasticity ab initio calculations. bulk modulus
http://linked.open...odStatuVydavatele	CH - Švýcarská konfederace
http://linked.open...ontrolniKodProRIV	[EEAC516EDF91]
http://linked.open...i/riv/nazevZdroje	Materials Science Forum
http://linked.open...in/vavai/riv/obor	BM
http://linked.open...ichTvurcuVysledku	2 (xsd:int)
http://linked.open...cetTvurcuVysledku	2 (xsd:int)
http://linked.open...vavai/riv/projekt	Ab initio calculation of elastic properties of iron-phosphorus system
http://linked.open...UplatneniVysledku	2005
http://linked.open...v/svazekPeriodika	482
http://linked.open...iv/tvurceVysledku	Pokluda, Jaroslav Černý, Miroslav
issn	0255-5476
number of pages	138 (xsd:int)
http://localhost/t...ganizacniJednotka	26210

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