New PDF release: A Primer on the Geometry of Carbon Nanotubes and Their

By Sadegh Imani Yengejeh, Seyedeh Alieh Kazemi, Andreas Öchsner

ISBN-10: 3319149857

ISBN-13: 9783319149851

ISBN-10: 3319149865

ISBN-13: 9783319149868

This quantity provides a entire process for categorizing carbon nanotubes and their adjustments when it comes to nano sheets, nanotubes, microscopic and atomic transformations. furthermore, the cloth and geometric homes of those nano-configurations are addressed. finally, it introduces a few universal software program programs for geometry iteration and several other advertisement finite aspect programs.

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Extra resources for A Primer on the Geometry of Carbon Nanotubes and Their Modifications

Example text

Then, the corresponding van der Waals force between them is defined by spring models. Since this weak non-covalent force has no material nature, a spring without mass is employed for the simulation of this force. 072997284 × 10−20 J are the Lennard-Jones parameters, r is the distance and r is the change in the distance between two carbon atoms which is as a result of an external force, applied on the structure and the consequent CNT deformation and change in the location of the atoms. 38 nm [22].

3 Capped CNTs By rolling up a graphene sheet as a cylinder and capping each side of the cylinder with half of the fullerene molecule, a capped CNT is modeled. 4 shows single-walled armchair and zigzag capped CNTs. 1 Material and Geometric Properties In a CNT, carbon atoms are bonded together by covalent bonds which have their specific lengths and angles in a three-dimensional space. It was assumed that CNTs, when subjected to loading, behave like space-frame structures. Thus, the bonds between carbon atoms are considered as connecting load-carrying generalized beam members, while the carbon atoms act as joints of the members [20].

This particular modification affects the mechanical properties of CNTs [59]. 18 illustrates the configuration of CNTs which were simulated from straight model to twisted CNT with a 10° twisting angle. 19. 20. g. Si-doping, carbon vacancy and perturbation, which might impure the structure of perfect CNTs. 1 Doping This random imperfection corresponds to the case where a finite number of c­ arbon atoms were replaced by silicon, nitrogen, boron, etc. 21 for the silicon atom. 22. 23. Chapter 6 Degenerated Tubes Beside carbon nanotubes, there are some other configurations of nanostructures, such as nanocones, capped CNTs, fullerene molecules, etc.

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A Primer on the Geometry of Carbon Nanotubes and Their Modifications by Sadegh Imani Yengejeh, Seyedeh Alieh Kazemi, Andreas Öchsner

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