Grain Boundary Project

CSL Grain Boundary Generator.

Select from examples: Or enter MP ID:

Grain Boundary Width: Grain Boundary Length:

Grain A Thickness: Grain B Thickness:

Step 3a: Choose a Rotation Axis Step 3b: Choose a Sigma (Σ) Value Step 3c: Choose Grain Boundary Plane

Selecting first plane will result in symmetric tilt grain boundary.

Selecting second plane will result in simple twist grian boundary.

Choose Vacuum Thickness (Angstroms) Choose Gap Thickness (Angstroms)

Minimize (Non-Orthogonal) Structure

Atom Scale:

Show Bounding Box

Reach out with any comments, questions, or concerns!