2015-08-012024-05-17https://scholars.lib.ntu.edu.tw/handle/123456789/683015摘要：無機奈米管被視為是下個世代的碳奈米管替代材料。本研究計畫將結合尖端的實驗手法與電腦運算技術，聚焦於微結構-性質-元件效能的交互關係。首先，我們將運用奈米連續體模型探討數種不同類別的無機奈米管之機械性質。此方法的核心要素為將共價鍵視為力學中的樑；透過原子間位能與彈性位能間的轉換，我們能將奈米管在分子力學上的表現以巨觀的力學模型呈現出來。藉由奈米連續體模型，我們將對奈米管模型進行拉伸、彎曲、扭曲等機械測試。根據奈米管連續體模型對上述機械測試中的力與位移之反饋，我們能夠估算出奈米管的楊氏模數與剪切模數。同時，藉由模型中參數的改變，我們將可以釐清奈米管的結構與鍵結強度對於楊氏與剪切模數相對貢獻的大小。<br> Abstract: Inorganic nanotubes have emerged as promising alternative materials to carbon nanotubes in recent years. This proposed work is aimed to study the structure-property-device performance relationship of the emerging inorganic nanotubes through a combination of computational and experimental investigations. The mechanical properties of various types of inorganic nanotubes will first be studied using the nanocontinuum method. This technique is based on treating the covalent bonds in the nanotubes as homogeneous beams. The mechanical tests, including the bending and twisting, will be applied to the nanotube atomic model. The Young’s modulus and shear modulus can thus be derived. The relative contributions of the bond strength and the atomic framework to the Young’s modulus and shear modulus will be assessed. After identifying the promising nanotube materials, we will use them to fabricate the nanotube-polymer nanocomposite membranes. The mechanical strength of the prepared nanocomposites will be investigated by a combination of the experimental and computational tools. The novel nanocomposite materials developed in this work can be applied to functional textiles, electronic packaging, and molecular separation platforms.無機奈米管機械性質奈米複合材料奈米連續體模型Inorganic NanotubesMechanical PropertiesNanocompositesNanocontinuum Model