About: Stress reduction in cubic boron nitride by oxygen addition: Explanation of the mechanism by ab-initio simulations

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About: Stress reduction in cubic boron nitride by oxygen addition: Explanation of the mechanism by ab-initio simulations 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/S0257897211011303
Description	We report ab-initio calculations of the effect of oxygen addition on the characteristics of c-BN. We focus on the lattice constants, bulk modulus, cohesive energy, stress and on the mechanism of stress reduction by oxygen addition. We show that for a given composition the c-BN(O) configurations with interstitial O atoms are energetically preferred over configurations with interstitial B and N atoms, and that the former configurations exhibit lower compressive stress. The results provide a mechanism of the experimentally observed reduction of the stress introduced into c-BN(O) by interstitial B and (mainly) N atoms, based on exchanging places of these atoms and lattice O atoms. We report ab-initio calculations of the effect of oxygen addition on the characteristics of c-BN. We focus on the lattice constants, bulk modulus, cohesive energy, stress and on the mechanism of stress reduction by oxygen addition. We show that for a given composition the c-BN(O) configurations with interstitial O atoms are energetically preferred over configurations with interstitial B and N atoms, and that the former configurations exhibit lower compressive stress. The results provide a mechanism of the experimentally observed reduction of the stress introduced into c-BN(O) by interstitial B and (mainly) N atoms, based on exchanging places of these atoms and lattice O atoms. (en)
Title	Stress reduction in cubic boron nitride by oxygen addition: Explanation of the mechanism by ab-initio simulations Stress reduction in cubic boron nitride by oxygen addition: Explanation of the mechanism by ab-initio simulations (en)
skos:prefLabel	Stress reduction in cubic boron nitride by oxygen addition: Explanation of the mechanism by ab-initio simulations Stress reduction in cubic boron nitride by oxygen addition: Explanation of the mechanism by ab-initio simulations (en)
skos:notation	RIV/49777513:23520/12:43895688!RIV13-MSM-23520___
http://linked.open...avai/riv/aktivita	P Z
http://linked.open...avai/riv/aktivity	P(ED1.1.00/02.0090), Z(MSM4977751302)
http://linked.open...iv/cisloPeriodika	8-9
http://linked.open...vai/riv/dodaniDat	2013
http://linked.open...aciTvurceVysledku	Houška, Jiří
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	Západočeská univerzita v Plzni / Fakulta aplikovaných věd
http://linked.open...dnocenehoVysledku	171697
http://linked.open...ai/riv/idVysledku	RIV/49777513:23520/12:43895688
http://linked.open...riv/jazykVysledku	eng - angličtina
http://linked.open.../riv/klicovaSlova	Ab-initio calculations; Stress relaxation; Compressive stress; c-BN:O; c-BN (en)
http://linked.open.../riv/klicoveSlovo	Stress relaxation Ab-initio calculations Compressive stress c-BN c-BN:O
http://linked.open...odStatuVydavatele	NL - Nizozemsko
http://linked.open...ontrolniKodProRIV	[DAA227C1D9AB]
http://linked.open...i/riv/nazevZdroje	Surface and Coatings Technology
http://linked.open...in/vavai/riv/obor	JI
http://linked.open...ichTvurcuVysledku	1 (xsd:int)
http://linked.open...cetTvurcuVysledku	2 (xsd:int)
http://linked.open...vavai/riv/projekt	NTIS - New Technologies for Information Society
http://linked.open...UplatneniVysledku	2012
http://linked.open...v/svazekPeriodika	206
http://linked.open...iv/tvurceVysledku	Houška, Jiří Ulrich, S.
http://linked.open...ain/vavai/riv/wos	000300458500066
http://linked.open...n/vavai/riv/zamer	Procesy ve výbojovém plazmatu a nové tenkovrstvé materiály s unikátními vlastnostmi
issn	0257-8972
number of pages	4 (xsd:int)
http://bibframe.org/vocab/doi	10.1016/j.surfcoat.2011.11.007
http://localhost/t...ganizacniJednotka	23520

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