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On the bulk modulus and natural frequency of fullerene and nanotube carbon structures obtained with a beam based method

机译:基于束的方法获得的富勒烯和纳米管碳结构的体积模量和固有频率

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In this work, the natural frequency of vibration and Bulk modulus under hydrostatic pressure conditions of carbon nanotubes and fullerenes are investigated. For this purpose, three-dimensional finite element modelling is used in order to evaluate the vibration characteristics and radial stiffness for different nanotube and fullerene sizes. The atomistic method implemented in this work is based on the notion that nanotubes, or fullerenes, are geometrical frame-like structures where the primary bonds between two neighbouring atoms act like load-bearing beam members, whereas an individual atom acts as the joint of the related load-bearing system. The current numerical simulations results are compared with data reported by other authors, highlighting the greater simplicity and the lower computational cost of the model implemented in this work compared to other molecular dynamics models, maintaining accuracy in the results provided.
机译:在这项工作中,研究了碳纳米管和富勒烯在静水压力条件下的固有振动频率和体积模量。为此,使用三维有限元建模来评估不同纳米管和富勒烯尺寸的振动特性和径向刚度。在这项工作中实现的原子方法是基于这样的概念,即纳米管或富勒烯是几何框架状结构,其中两个相邻原子之间的主键起着承重梁的作用,而单个原子起相关的承重系统。将当前的数值模拟结果与其他作者报告的数据进行比较,突出表明与其他分子动力学模型相比,该工作中实现的模型具有更高的简单性和更低的计算成本,从而保持了所提供结果的准确性。

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