QUANTUM-MECHANICAL SIMULATIONSnOF INTERFACES IN ADVANCED MATERIALS
The result's identifiers
Result code in IS VaVaI
<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F68081723%3A_____%2F17%3A00480375" target="_blank" >RIV/68081723:_____/17:00480375 - isvavai.cz</a>
Result on the web
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DOI - Digital Object Identifier
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Alternative languages
Result language
angličtina
Original language name
QUANTUM-MECHANICAL SIMULATIONSnOF INTERFACES IN ADVANCED MATERIALS
Original language description
First-principles electronic structure calculations were applied to study tensorial elastic properties of the Ni3Al Sigma5(210) GBs. The elasto-chemical aspects were illustrated by the behaviour of elastic constants computed for GBs with different atoms at the interface and by their strong sensitivity to the interface chemical composition. A few-fold reduction of the elastic constants C55 is identified as the crucial weakest link for the mechanical stability.
Czech name
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Czech description
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Classification
Type
C - Chapter in a specialist book
CEP classification
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OECD FORD branch
10302 - Condensed matter physics (including formerly solid state physics, supercond.)
Result continuities
Project
<a href="/en/project/GA16-24711S" target="_blank" >GA16-24711S: Structure and properties of selected nanocomposites</a><br>
Continuities
P - Projekt vyzkumu a vyvoje financovany z verejnych zdroju (s odkazem do CEP)
Others
Publication year
2017
Confidentiality
S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů
Data specific for result type
Book/collection name
Supercomputing in science and engineering: IT4Innovations National Supercomputing Center
ISBN
978-80-248-4037-6
Number of pages of the result
3
Pages from-to
174-176
Number of pages of the book
221
Publisher name
VŠB – Technical University of Ostrava
Place of publication
Ostrava
UT code for WoS chapter
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