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Build carbon nanotube models#

This tutorial shows how to easily generate single-walled and multi-walled carbon nanotube (CNT) models in SAMSON using the Nanotube Creator Extension - a useful tool in molecular design, nanotechnology, and computational materials science.

Multi-walled carbon nanotube

Where It Can Be Used?#

  • Design CNT-based nanodevices or sensors.
  • Build nanostructures for molecular simulations.
  • Study mechanical or electronic properties of CNTs.
  • Use CNTs in molecular transport, drug delivery, or membrane modeling.

Getting Started#

  1. Log into SAMSON Connect.
  2. Visit the Nanotube Creator Extension page and click Add.
  3. Restart SAMSON - your extension will be ready to use.

Activate the Nanotube Creator#

This extension provides an editor - an interactive tool that lets you CNTs using the mouse or a graphical interface.

You can activate the editor in two ways:

  • From the viewport left-side menu: ... > Materials > Nanotube Creator.
  • Or use the Find everything... (Shift+E) and search "Nanotube Creator".

Note

Only one editor can be active at a time in SAMSON.

Building nanotubes#

You have two modes to create nanotubes:

  • interactively in the viewport with the mouse,
  • using the nanotube creator's graphical interface.

Method 1 - Create Nanotubes Interactively#

You can interactively build nanotubes in the viewport in two steps:

  1. Set the nanotube axis and length (defines n parameter) - press and drag the left mouse button in the viewport:

    Nanotube creation in the viewport - step 1

    Watch the status bar for live feedback on axis orientation and tube length:

    Status

  2. Set the nanotube radius (defines m parameters):

    1. Release the mouse button
    2. Move the mouse to adjust the radius (changes m parameter)
    3. Click the left mouse button again to confirm

    Nanotube creation in the viewport - step 2

Check the status bar during building to precisely choose the n and m parameters.

Method 2 - Use the Graphical Interface#

Prefer precise control? Open the editor's graphical interface (GUI) by activating the editor. If the interface is hidden, reselect the editor to toggle visibility.

Building nanotube using graphical interface

Using the GUI, you can easily create multi-walled nanotubes.

Parameters#

  • Start / End Position - define the nanotube’s axis in 3D space and its begin and end positions.
  • n / m values - define chiral vector (structure and radius).

Click Build to generate a nanotube using current parameters.

Example - Multi-Walled Nanotube#

Try building three concentric CNTs:

  1. Start/end positions: (0, 0, 0) and (40, 0, 0) to create a CNT with length of 40 Å along the x-axis.
  2. CNT 1: n = 6, m = 6. Click Build.
  3. CNT 2: n = 10, m = 10. Click Build.
  4. CNT 3: n = 14, m = 14. Click Build.

This will produce the multi-walled nanotube below:

Multi-walled carbon nanotube

What's Next?#

Once you've created your CNTs, you can:

Example: Building and modeling a Carbon Nanopore

Applications in Molecular Design & Nanoscience#

  • Design molecular transport systems or channels.
  • Build nanoelectromechanical systems (NEMS).
  • Integrate CNTs into advanced material simulations.
  • Explore electronic/thermal properties of CNTs.

Need Help?#

Have questions or feedback? Feel free to reach out via the Forum, via e-mail, via the Feedback button in SAMSON, or by directly discussing with us.