本文基於一些規範去計算碳原子的位置，以連體力學為基礎將奈米碳管視為空間構架，再以能量等效原理連結分子力學和結構力學的橋樑。在經過無因次化運算與一些假設之後，就可以利用一般的商業軟體，如ANSYS，去模擬單壁奈米碳管，進而預估其相關之力學性質，如楊氏係數、剪力模數、蒲松比、自然頻率和挫屈強度。

　This thesis bases on the theory to calculates position of the carbon atom. Then, it regards carbon nanotube as frame-like structures based on continuum mechanics and equivalent principle of energy establish linkage between molecule mechanics and structural mechanics. The purpose of this paper is to simulate single-walled carbon nanotube with commercial finite element software, for example ANSYS, through some operation and assumption. Finally, we estimate mechanics properties of single-walled carbon nanotube, such as Young’s modulus, shear modulus, Poisson’s ratio, nature frequencies and buckling strength.

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