Magic structures of helical multishell zirconium nanowires
نویسندگان
چکیده
منابع مشابه
Magic Structures of Helical Multi-shell Zirconium Nanowires
The structures of free-standing zirconium nanowires with 0.6−2.8 nm in diameter are systematically studied by using genetic algorithm simulations with a tight-binding many body potential. Several multi-shell growth sequences with cylindrical structures are obtained. These multi-shell structures are composed of coaxial atomic shells with the threeand four-strands helical, centered pentagonal and...
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Helical multishell gold nanowires are studied theoretically for the formation mechanism of the helical domain boundary. Nanowires with a wire length of more than 10 nm are relaxed by quantum mechanical molecular dynamics simulation with a tight-binding form Hamiltonian. In the results, non-helical nanowires are transformed into helical ones with the formation of atom pair defects at the domain ...
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متن کاملDomain boundary formation in helical multishell gold nanowire
Helical multishell gold nanowire is studied theoretically for the formation mechanism of helical domain boundary. Nanowires with the wire length of more than 10 nm are relaxed by quantum mechanical molecular dynamics simulation with tight-binding form Hamiltonian. In results, non-helical nanowires are transformed into helical ones with the formation of atom pair defects at domain boundary, wher...
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ژورنال
عنوان ژورنال: Physical Review B
سال: 2002
ISSN: 0163-1829,1095-3795
DOI: 10.1103/physrevb.65.235406