About: Ab initio analysis of theoretical isotropic strength and elasticity of nickel aluminide compounds

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rdf:type	skos:Concept http://linked.opendata.cz/ontology/domain/vavai/Vysledek
Description	The influence of chemical composition on the elastic response of NixAly under isotropic deformation is theoretically studied in terms of crystal energetics. Pure Ni, Ni3Al, NiAl, NiAl3 and pure Al crystals were selected as representative NixAly compounds. The total energy is computed by means of two ab initio approaches. Elastic moduli and equilibrium atomic volumes are determined and the crystal stability is analyzed at the inflection point of the dependence of the total energy on the volume. The isotropic theoretical tensile strength is evaluated using the stability analysis. All calculated values agree well with the available experimental data. The only exceptions are the overestimated values of the NiAl shear moduli. The influence of chemical composition on the elastic response of NixAly under isotropic deformation is theoretically studied in terms of crystal energetics. Pure Ni, Ni3Al, NiAl, NiAl3 and pure Al crystals were selected as representative NixAly compounds. The total energy is computed by means of two ab initio approaches. Elastic moduli and equilibrium atomic volumes are determined and the crystal stability is analyzed at the inflection point of the dependence of the total energy on the volume. The isotropic theoretical tensile strength is evaluated using the stability analysis. All calculated values agree well with the available experimental data. The only exceptions are the overestimated values of the NiAl shear moduli. (en)
Title	Ab initio analysis of theoretical isotropic strength and elasticity of nickel aluminide compounds Ab initio analysis of theoretical isotropic strength and elasticity of nickel aluminide compounds (en)
skos:prefLabel	Ab initio analysis of theoretical isotropic strength and elasticity of nickel aluminide compounds Ab initio analysis of theoretical isotropic strength and elasticity of nickel aluminide compounds (en)
skos:notation	RIV/00216305:26210/04:PU43515!RIV11-MSM-26210___
http://linked.open...avai/riv/aktivita	P V Z
http://linked.open...avai/riv/aktivity	P(GP106/02/D101), V, Z(MSM 262100002)
http://linked.open...iv/cisloPeriodika	12
http://linked.open...vai/riv/dodaniDat	2011
http://linked.open...aciTvurceVysledku	Černý, Miroslav Pokluda, Jaroslav Šandera, Pavel
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	553268
http://linked.open...ai/riv/idVysledku	RIV/00216305:26210/04:PU43515
http://linked.open...riv/jazykVysledku	eng - angličtina
http://linked.open.../riv/klicovaSlova	NiAl, elastic moduli, ab initio calculations, stability, isotropic strength (en)
http://linked.open.../riv/klicoveSlovo	NiAl ab initio calculations stability elastic moduli isotropic strength
http://linked.open...odStatuVydavatele	NL - Nizozemsko
http://linked.open...ontrolniKodProRIV	[016EE6440672]
http://linked.open...i/riv/nazevZdroje	Materials Science and Engineering A
http://linked.open...in/vavai/riv/obor	BM
http://linked.open...ichTvurcuVysledku	3 (xsd:int)
http://linked.open...cetTvurcuVysledku	3 (xsd:int)
http://linked.open...vavai/riv/projekt	Ab initio calculation of elastic properties of iron-phosphorus system
http://linked.open...UplatneniVysledku	2004
http://linked.open...v/svazekPeriodika	387-389C
http://linked.open...iv/tvurceVysledku	Pokluda, Jaroslav Černý, Miroslav Šandera, Pavel
http://linked.open...ain/vavai/riv/wos	000226042400188
http://linked.open...n/vavai/riv/zamer	http://linked.opendata.cz/resource/domain/vavai/zamer/MSM%20262100002
issn	0921-5093
number of pages	3 (xsd:int)
http://localhost/t...ganizacniJednotka	26210

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