奈米碳管的力學性質數值模擬
Date Issued
2005
Date
2005
Author(s)
林世偉
DOI
zh-TW
Abstract
This paper starting on the potential energy curve of carbon-carbon bond with combination of the analytic method of structural mechanics researches preliminarily on the property of the mechanics in carbon nanotube. This paper briefly describes the structural shape of carbon nanotube, including armchair, zigzag, chiral of carbon nanotube, and the transformation through mathematic formula from graphene sheet to carbon nanotube. In addition, this paper establishes the position of carbon atom on the wall of carbon nanotube by mathematical formula, and discovers that under Tersoff potential formula the different types of carbon nanotube have different bond lengths and bond angles; however, they all very approach to graphene sheet. This paper also combines Tersoff potential formula with the deformation sharp of carbon-carbon bond to calculate the bond stretching, bond angle bending, bond torsional of constants of force fields of different chiral vectors of single-walled carbon nanotube.
Than by energy equivalence links molecular mechanics and structural mechanics to establish analytic model. And using the method of structural mechanics to calculate the axial Young’s modulus, shear modulus, natural frequency and so on, these properties of the mechanics in carbon nanotube. The result all displays that they are related to the diameter of carbon nanotube, and there would be some slight differences from different forms of the function of the mechanics in carbon
nanotube.
Subjects
奈米碳管
模性模數
剪力模數
自然振頻
carbon nanotubes
shear modulus
natural frequency
Type
thesis
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