Mechanical property of carbon nanotubes with intramolecular junctions: Molecular dynamics simulations
نویسندگان
چکیده
منابع مشابه
Molecular Dynamics Simulations of Heat Transfer of Carbon Nanotubes
Several heat transfer problems related to single-walled carbon nanotubes (SWNTs) are considered using molecular dynamics (MD) simulations. The Brenner potential [1] with the simplified form [2] is employed as the potential function between carbon and carbon within a nanotube. MD simulations of thermal conductivity along a nanotube, isotope effect in longitudinal thermal conductivity, and therma...
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Carbon nanotubes are tubular molecules of pure carbon with typical diameters of 1 nm – 100 nm and lengths from 100 nm up to several cm. The nanotubes have outstanding electronical and mechanical properties which has resulted in remarkable scientific interest and in proporsals of various applications. For example, their ability to be either metals or semiconductors enables the usage of nanotubes...
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Several heat transfer problems related to singlewalled carbon nanotubes (SWNTs) are considered through molecular dynamics (MD) simulations. MD simulations of thermal conductivity along a nanotube, isotope effect in longitudinal thermal conductivity, and thermal boundary resistance in a junction of nanotubes are reviewed. Then, the heat transfer from an SWNT to various surrounding materials is s...
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The effect of filling nanotubes with C60, CH4, or Ne on the mechanical properties of the nanotubes is examined. The approach is classical molecular dynamics using the reactive empirical bond order (REBO) and the adaptive intermolecular REBO potentials. The simulations predict that the buckling force of filled nanotubes can be larger than that of empty nanotubes, and the magnitude of the increas...
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ژورنال
عنوان ژورنال: Physics Letters A
سال: 2008
ISSN: 0375-9601
DOI: 10.1016/j.physleta.2008.09.010