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  • Copper is introduced into the steels of reactor vessels by diffusion from welding material, and forms small precipitates which contribute to embrittlement of the irradiated ferritic steels in nuclear power stations. The proposal of the project is motivated by efforts to understand micromechanism of the embrittlement. Molecular dynamic simulations will be utilized to study: micromechanics of defect growth in 2D and 3D, equilibrium atomic structure of nano-scale precipitates embedded in alfa-iron, the conditions leading to nucleation and microcrack growth at the interface host - precipitate, further radiation damage and dislocation pinning in alfa-iron containing the Cu-impurities. (en)
  • Při sváření difunduje do ocelí pro reaktorové nádoby měď, která vytváří malé precipitáty a spolu s radiací přispívá ke křehnutí feritických ocelí v jaderných elektrárnách. Projekt je motivován snahou pochopit mikromechanismus tohoto křehnutí. Metodou molekulární dynamiky budou systematicky studovány: mikromechanika porušování v alfa-Fe, u 2D i 3D problémů, rovnovážná atomární struktura precipitátů mikroskopických rozměrů (~2 nm) umístěných v alfa-Fe, dál podmínky vedoucí k nukleaci a rozvoji mikrotrhlin na rozhraní precipitát - matrice, vliv radiace a zakotvování dislokací v alfa-Fe obsahujícím Cu-nečistoty. (cs)
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  • Molecular dynamic simulations of damage in alfa-iron and influence of impurities (en)
  • Porušování alfa - železa a vliv nečistot, simulace metodou molekulární dynamiky (cs)
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  • brittle-ductile behaviour of microcracks in alfa-iron; copper embrittlement of older reactor steels; radiation damage in alfa iron at temperature of 600 K (en)
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