I would like to build a material similar to what is in the image below.
I have tried programs such as Material Studio, Quantum ATK, and VNL, but most of them can only do materials with 2 elements.
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1$\begingroup$ Any references attached to the image (thus also materials and methods)? $\endgroup$– Buck Thorn ♦Commented Mar 22, 2020 at 7:07
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2$\begingroup$ @BuckThorn: I don't think so. He got this from the Materials Modeling Stack Exchange facebook group: facebook.com/groups/700426147050999 $\endgroup$– user1271772Commented Mar 22, 2020 at 17:08
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1 Answer
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Various custom software exists to create nanotubes.
The following appears suitable: http://www.jcrystal.com/products/wincnt/
A Wolfram Demonstrations application may also be of some use: https://demonstrations.wolfram.com/NanotubeBuilder/
Furthermore, you may have further considerations like how to generate molecular mechanics parameters. For example, you may be interested in how to generate the nanotubes to be compatible with AMBER, or GROMACS. The following may be of use if that is the case: https://github.com/bio-phys/cnt-gaff http://www.gromacs.org/Documentation/How-tos/Carbon_Nanotube
I should also mention that VMD and Avogadro, which are more easy to use, can create carbon nanotubes. VMD can create boron-nitride nanotubes http://www.ks.uiuc.edu/Research/vmd/plugins/nanotube/
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1$\begingroup$ Thanks @cody Aldaz. However, the programs you mentioned are for carbon nanotubes. They can't be used to create nanotubes of materials made up of three or more elements such as barite. $\endgroup$ Commented Mar 21, 2020 at 22:07
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2$\begingroup$ Thanks everyone. I later found out that you can use Quantum ATK. It has a tube wrapper feature under the coordinate tools which enables one to build nanotube of any material. $\endgroup$ Commented Apr 15, 2020 at 3:19