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Visualizing atomic vibrations

Making vibrational modes in disordered materials easier to see and understand.

A visualization of a vibrational mode localized in an atomic structure

Seeing a normal mode

Vibrations in a perfect crystal are relatively easy to picture as organized waves. In amorphous materials, the atomic motions can be much less intuitive.

I developed a Python script that interfaces with OVITO to animate the motion associated with a vibrational mode, given particle positions and the mode’s displacement pattern. The visualization helps connect mathematical eigenvectors with the physical motion of the atoms.

The original example below shows a vibrational mode in amorphous silicon. The motion is periodic even though it is less spatially organized than a simple wave in a crystal.

Show the original vibrational-mode animationPeriodic vibrational motion of atoms in amorphous silicon