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- W1775876054 abstract "A hybrid scheme between large-scale electronic structure calculations is developed and applied to nanocrystalline silicon with more than 10$^5$ atoms. Dynamical fracture processes are simulated under external loads in the [001] direction. We shows that the fracture propagates anisotropically on the (001) plane and reconstructed surfaces appear with asymmetric dimers. Step structures are formed in larger systems, which is understood as the beginning of a crossover between nanoscale and macroscale samples." @default.
- W1775876054 created "2016-06-24" @default.
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- W1775876054 date "2002-10-17" @default.
- W1775876054 modified "2023-09-27" @default.
- W1775876054 title "Large-scale electronic structure theory and surface formation process in nano-scale fracture of silicon" @default.
- W1775876054 hasPublicationYear "2002" @default.
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