About: Ab initio calculations of theoretical tensile strength in metals and intermetalics

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rdf:type	skos:Concept http://linked.opendata.cz/ontology/domain/vavai/Vysledek
Description	Theoretical tensile strength in W, NiAl and transition metal disilicides MoSi$_2$ and WSi$_2$ with C11$_b$ structure is calculated. In W and NiAl, we consider uniaxial tension along [001] and [111] directions. Calculated results compare favorable with experimental value of 24.7$\pm$3.6 GPa obtained for tungsten whiskers grown along the [110] direction. Similarly, in NiAl, the 'hard' orientation [001] differs very significantly from the [111] orientation ($\sigma^{th}_{001}$ = 46 GPa, $\sigma^{th}_{111}$ = 25 GPa). This anisotropy is explained in terms of higher-symmetry structures present or absent on the calculated deformation paths. In disilicides, the theoretical strength is calculated for [001] loading ($\sigma^{th}_{001}$ = 37 GPa and 38 GPa for MoSi$_2$ and WSi$_2$, respectively). The role of relaxation of internal structure parameter is discussed and changes in bonding conditions during the tensile test are analyzed. Theoretical tensile strength in W, NiAl and transition metal disilicides MoSi$_2$ and WSi$_2$ with C11$_b$ structure is calculated. In W and NiAl, we consider uniaxial tension along [001] and [111] directions. Calculated results compare favorable with experimental value of 24.7$\pm$3.6 GPa obtained for tungsten whiskers grown along the [110] direction. Similarly, in NiAl, the 'hard' orientation [001] differs very significantly from the [111] orientation ($\sigma^{th}_{001}$ = 46 GPa, $\sigma^{th}_{111}$ = 25 GPa). This anisotropy is explained in terms of higher-symmetry structures present or absent on the calculated deformation paths. In disilicides, the theoretical strength is calculated for [001] loading ($\sigma^{th}_{001}$ = 37 GPa and 38 GPa for MoSi$_2$ and WSi$_2$, respectively). The role of relaxation of internal structure parameter is discussed and changes in bonding conditions during the tensile test are analyzed. (en)
Title	Ab initio calculations of theoretical tensile strength in metals and intermetalics Ab initio calculations of theoretical tensile strength in metals and intermetalics (en)
skos:prefLabel	Ab initio calculations of theoretical tensile strength in metals and intermetalics Ab initio calculations of theoretical tensile strength in metals and intermetalics (en)
skos:notation	RIV/00216224:14310/01:00005062!RIV/2002/MSM/143102/N
http://linked.open.../vavai/riv/strany	715
http://linked.open...avai/riv/aktivita	P Z
http://linked.open...avai/riv/aktivity	P(GA106/99/1178), P(IAA1010817), P(ME 264), P(OC P3.10), Z(AV0Z2041904)
http://linked.open...vai/riv/dodaniDat	2002
http://linked.open...aciTvurceVysledku	Friák, Martin
http://linked.open.../riv/druhVysledku	D - Článek ve sborníku
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	672391
http://linked.open...ai/riv/idVysledku	RIV/00216224:14310/01:00005062
http://linked.open...riv/jazykVysledku	eng - angličtina
http://linked.open.../riv/klicovaSlova	tensile strength, intermetalics, ab initio, theoretical tensile strength (en)
http://linked.open.../riv/klicoveSlovo	ab initio theoretical tensile strength tensile strength intermetalics
http://linked.open...ontrolniKodProRIV	[09232C7E89F3]
http://linked.open...v/mistoKonaniAkce	Warrendale, PA, USA
http://linked.open...i/riv/mistoVydani	Warrendale, PA, USA
http://linked.open...i/riv/nazevZdroje	Computational Modeling of Materials, Minerals, and Metals Processing
http://linked.open...in/vavai/riv/obor	BM
http://linked.open...ichTvurcuVysledku	1 (xsd:int)
http://linked.open...cetTvurcuVysledku	4 (xsd:int)
http://linked.open...ocetUcastnikuAkce	0 (xsd:int)
http://linked.open...nichUcastnikuAkce	0 (xsd:int)
http://linked.open...vavai/riv/projekt	Experimental and theoretical studies of grain boundary segregation http://linked.opendata.cz/resource/domain/vavai/projekt/ME%20264 http://linked.opendata.cz/resource/domain/vavai/projekt/OC%20P3.10 Stability of crystal structures and lattice defects in intermetallics
http://linked.open...UplatneniVysledku	2001
http://linked.open...iv/tvurceVysledku	Friák, Martin Šob, Mojmír Vitek, Václav Wang, Ligen G.
http://linked.open...vavai/riv/typAkce	WRD - Světová
http://linked.open.../riv/zahajeniAkce	2001-01-01 (xsd:date)
http://linked.open...n/vavai/riv/zamer	Behavior and properties of metallic and non-metallic materials in relation to their structure, research on processes leading to degradation of material quality
number of pages	10 (xsd:int)
http://purl.org/ne...btex#hasPublisher	M. Cross, J.W. Evans, C. Bailey
https://schema.org/isbn	0-87339-513-1
http://localhost/t...ganizacniJednotka	14310

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