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Helical multishell structures of magnesium nanowires
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The structures of free-standing magnesium nanowires are systematically studied by using genetic algorithm simulations based on molecular dynamics with a tight-binding many body potential. Several helical multishell cylindrical growth sequences are observed for magnesium nanowires. The numbers of atomic strands show the even-odd or odd-even coupling between the inner and outershell with the differences of five strands, These multishell structures are made up of coaxial tubes in the three- and four-strands helical, centered pentagonal and hexagonal, and double-chain-core parallel curved surface epitaxy. The average binding energy and coordination numbers are calculated. The angular correlation functions and vibrational properties of magnesium nanowire have also been studied.
Title: Helical multishell structures of magnesium nanowires
Description:
The structures of free-standing magnesium nanowires are systematically studied by using genetic algorithm simulations based on molecular dynamics with a tight-binding many body potential.
Several helical multishell cylindrical growth sequences are observed for magnesium nanowires.
The numbers of atomic strands show the even-odd or odd-even coupling between the inner and outershell with the differences of five strands, These multishell structures are made up of coaxial tubes in the three- and four-strands helical, centered pentagonal and hexagonal, and double-chain-core parallel curved surface epitaxy.
The average binding energy and coordination numbers are calculated.
The angular correlation functions and vibrational properties of magnesium nanowire have also been studied.
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