![]() ![]() Thus, ZNT can be visualized as Zr-O hexagonal network, obtained by rolling up a CZNT sheet. Modelling of inorganic nanotubes (INT) is based on the same concepts used for carbon nanotubes (CNT) where the tubes are assumed to be formed by rolling up of nanosheet (NNS) into a hollow cylinder and can be single or multi walled. As an alternative, the numerical approach has been utilized it is based on multi-scale modelling using molecular dynamics and continuum mechanics via finite element modelling. However, the technical difficulties involved in the manipulation of these nanoscale structures make the direct determination of their mechanical properties difficult and/or impossible. įor better utilization of the potentials of ZNT, detailed information about its mechanical and other properties are required. Variations in morphology and geometrical parameters such as diameters, lengths and wall thickness have been observed in the ZNT synthesized. In recent years, Zirconia nanotubes (ZNT) are one of the most investigated inorganic nanotubes and can be synthesized using various techniques with anodization been the most widely used method due to its simplicity and ability to fabricate self-organized ZNT arrays. In addition to carbon nanotubes, several inorganic nanotubes have been synthesized and/or modelled ranging from metal sulfides, nitrides, metal oxides, rare earth oxide nanotubes and metallic nanotubes. Since 1991, carbon nanotubes have attracted widespread interest as the most important material for nanotechnology because of their semiconducting, electron-emitting, high-strength, and other unique properties. Keywords:Zirconia Nanotubes, Molecular Modelling, Python, ANSYS The output contains only the atomic coordinates and connectivity pattern, which make the conversion process faster and more efficient compared to manual option used when performing similar task. The output in the form of PDB file is exported into ANSYS by using a script developed in Python. ![]() As a way out, the structure of (10, 10) zirconia nanotube is modeled using available crystal and molecular software (Material Studio © and CrystalMaker ©). This challenge requires multi-scale numerical modeling and simulation. However, information on structural and mechanical properties of zirconia nanotubes is not easily available and/ or limited in scope. Zirconia in the form of nanotubes has potential for application in various areas. Received 1 June 2014 revised 3 July 2014 accepted 20 July 2014 This work is licensed under the Creative Commons Attribution International License (CC BY). A live intensity link connecting all three programs lets you edit crystal structures and observe how their diffraction properties change - in real time - from the comfort of your desktop.Mechanical Engineering Department, Universiti Teknologi PETRONAS, Seri Iskandar, MalaysiaĮmail: © 2014 by authors and Scientific Research Publishing Inc. An integrated library of over 1200 structures - presented in a searchable album interface - makes this ideal for teaching, as well as research.ĬrystalMaker works seamlessly with SingleCrystal and CrystalDiffract, for rapid TEM, X-ray, Laue, neutron and powder diffraction simulations. Advanced crystal-engineering tools and multi-structure animation lets you transform complex structures into simpler representations for greater understanding, enhanced discovery and effective communication.ĬrystalMaker empowers your workflow with state-of-the-art system integration - including multi-touch control, 3D gesture recognition, haptic feedback and support for high-DPI "Retina" displays. Our flagship CrystalMaker X application blows away dusty crystallography with an elegant, interactive interface and spectacular "out-of-the-screen" 3D graphics. CrystalMaker Software Ltd develops world-leading software for materials modelling and diffraction simulations, running natively on the latest 64-bit Mac and Windows operating systems. ![]()
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