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  • Ab initio calculations of elastic moduli and theoretical uniaxial strength of composite lamina having continuous nano-fibre reinforcements are performed using pseudo-potential plane-wave code. Obtained results are used to verify validity of macro-scale empirical relations for composites (rules of mixtures) on the nano-scale. All quantities are computed from the dependence of crystal energy on a suitable deformation parameter. Results for tungsten nano-fibres in niobium matrix, presented as a particularexample of the ab-initio analysis, reveal that bulk moduli of ideal composites follow the simplest form of the linear mixture rule. On the other hand, Young moduli and theoretical strengths exhibit linear dependence on tungsten atomic concentration onlytill 80% concentration is reached.
  • Ab initio calculations of elastic moduli and theoretical uniaxial strength of composite lamina having continuous nano-fibre reinforcements are performed using pseudo-potential plane-wave code. Obtained results are used to verify validity of macro-scale empirical relations for composites (rules of mixtures) on the nano-scale. All quantities are computed from the dependence of crystal energy on a suitable deformation parameter. Results for tungsten nano-fibres in niobium matrix, presented as a particularexample of the ab-initio analysis, reveal that bulk moduli of ideal composites follow the simplest form of the linear mixture rule. On the other hand, Young moduli and theoretical strengths exhibit linear dependence on tungsten atomic concentration onlytill 80% concentration is reached. (en)
  • Ab initio výpočty elastických modulů a teoretické tahové pevnosti kompositů s nanovláknovou výztuží jsou provedeny pomocí pseudo-potenciálového kódu s bází rovinných vln. Získané výsledky jsou použity k ověření platnosti empirických vztahů pro maktroskopické komposity (směšovací pravidla) na nano-úrovni. Všechny veličiny jsou počítány ze závislosti totální energie krystalu na vhodném parametru deformace. Výsledky pro wolframová vlákna v niobové matrici, uvedená jako příklad ab-initio analýzy, odhalila,že modul objemové pružnosti ideálního kompozitu splňuje lineární směšovací pravidlo. Na druhou stranu, Youngův modul a teoretická pevnost jeví lineární závislost na koncentraci wolframu pouze do dosažení 80% koncentrace. (cs)
Title
  • Ab initio Study of Elasticity and Strength of Nano-fibre Reinforced Composites
  • Ab initio studie pružnosti a pevnosti nanovláknových kompozitů (cs)
  • Ab initio Study of Elasticity and Strength of Nano-fibre Reinforced Composites (en)
skos:prefLabel
  • Ab initio Study of Elasticity and Strength of Nano-fibre Reinforced Composites
  • Ab initio studie pružnosti a pevnosti nanovláknových kompozitů (cs)
  • Ab initio Study of Elasticity and Strength of Nano-fibre Reinforced Composites (en)
skos:notation
  • RIV/00216305:26210/06:PU59405!RIV06-GA0-26210___
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  • 873-878
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  • P(GA101/05/0320)
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  • 463926
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  • RIV/00216305:26210/06:PU59405
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  • nano-fibre composites, ab initio calculations, rules of mixtures, elastic moduli, uniaxial strength (en)
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  • [962ABC100031]
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  • Alexandroupolis
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  • Alexandroupolis
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  • Fracture of Nano and Engineering Materials and Structures
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  • Pokluda, Jaroslav
  • Černý, Miroslav
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number of pages
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  • Springer-Verlag
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  • 1-4020-4971-4
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  • 26210
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