Stress reduction in cubic boron nitride by oxygen addition: Explanation of the mechanism by ab-initio simulations
The result's identifiers
Result code in IS VaVaI
<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F49777513%3A23520%2F12%3A43895688" target="_blank" >RIV/49777513:23520/12:43895688 - isvavai.cz</a>
Result on the web
<a href="http://www.sciencedirect.com/science/article/pii/S0257897211011303" target="_blank" >http://www.sciencedirect.com/science/article/pii/S0257897211011303</a>
DOI - Digital Object Identifier
<a href="http://dx.doi.org/10.1016/j.surfcoat.2011.11.007" target="_blank" >10.1016/j.surfcoat.2011.11.007</a>
Alternative languages
Result language
angličtina
Original language name
Stress reduction in cubic boron nitride by oxygen addition: Explanation of the mechanism by ab-initio simulations
Original language 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.
Czech name
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Czech description
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Classification
Type
J<sub>x</sub> - Unclassified - Peer-reviewed scientific article (Jimp, Jsc and Jost)
CEP classification
JI - Composite materials
OECD FORD branch
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Result continuities
Project
<a href="/en/project/ED1.1.00%2F02.0090" target="_blank" >ED1.1.00/02.0090: NTIS - New Technologies for Information Society</a><br>
Continuities
P - Projekt vyzkumu a vyvoje financovany z verejnych zdroju (s odkazem do CEP)<br>Z - Vyzkumny zamer (s odkazem do CEZ)
Others
Publication year
2012
Confidentiality
S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů
Data specific for result type
Name of the periodical
Surface and Coatings Technology
ISSN
0257-8972
e-ISSN
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Volume of the periodical
206
Issue of the periodical within the volume
8-9
Country of publishing house
NL - THE KINGDOM OF THE NETHERLANDS
Number of pages
4
Pages from-to
2541-2544
UT code for WoS article
000300458500066
EID of the result in the Scopus database
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