Ab initio calculations of theoretical tensile strength in metals and intermetalics
The result's identifiers
Result code in IS VaVaI
<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F00216224%3A14310%2F01%3A00005062" target="_blank" >RIV/00216224:14310/01:00005062 - isvavai.cz</a>
Alternative codes found
RIV/68081723:_____/01:07013187
Result on the web
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DOI - Digital Object Identifier
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Alternative languages
Result language
angličtina
Original language name
Ab initio calculations of theoretical tensile strength in metals and intermetalics
Original language 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.
Czech name
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Czech description
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Classification
Type
D - Article in proceedings
CEP classification
BM - Solid-state physics and magnetism
OECD FORD branch
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Result continuities
Project
Result was created during the realization of more than one project. More information in the Projects tab.
Continuities
P - Projekt vyzkumu a vyvoje financovany z verejnych zdroju (s odkazem do CEP)
Others
Publication year
2001
Confidentiality
S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů
Data specific for result type
Article name in the collection
Computational Modeling of Materials, Minerals, and Metals Processing
ISBN
0-87339-513-1
ISSN
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e-ISSN
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Number of pages
10
Pages from-to
715
Publisher name
M. Cross, J.W. Evans, C. Bailey
Place of publication
Warrendale, PA, USA
Event location
Warrendale
Event date
Jan 1, 2001
Type of event by nationality
WRD - Celosvětová akce
UT code for WoS article
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