This approach is similar to modern photo editing software, enabling flexible experimentation without the risk of corrupting raw simulation data. Once you've set up a processing pipeline that suits your needs, you can efficiently apply it to multiple structures for batch processing of simulation trajectories.
The OVITO team continuously refines and expands the software, ensuring it remains at the cutting edge. Recent major updates (versions 3.11 and 3.15) showcase this commitment:
: It requires a filter file that maps Weinberg vectors to structure types (e.g., FCC, BCC, HCP). These can be downloaded from the VoroTop project site . How to Use : ovito top
When looking down the Z-axis, combining the Top view with a or Common Neighbor Analysis (CNA) modifier reveals crystalline phases cleanly. For instance, in a FCC crystal lattice, a top view down the [001] direction showcases a square lattice grid, while the [111] direction highlights a hexagonal pattern. Color-coding atoms by their local coordination or CNA structural type allows amorphous or defective boundary regions to pop out sharply against the background. Displacement Vectors and Strain Mapping
For a complete reference, the full list of available modifiers includes Ackland-Jones analysis, atomic strain, bond order analysis, centrosymmetry parameter, cluster analysis, displacement vectors, elastic strain calculation, polyhedral template matching, radial distribution function, spatial binning, structure factor, and many more. This approach is similar to modern photo editing
Below is an explicit Python workflow utilizing ovito.vis.Viewport to align and render an orthographic :
), the bulk of the physical behavior occurs within the lateral plane. The Top view provides an unobstructed, high-fidelity mapping of its honeycomb or buckled lattice structure. Slicing and Planar Dislocation Networks Recent major updates (versions 3
Click inside the top-left layout quadrant. A thin yellow border indicates that the Top viewport is currently the active panel for rendering or adjustments.
What specific are you trying to analyze? (e.g., grain boundaries, fracture, polymers) Do you need assistance with Python scripting automation ?
OVITO operates on a , similar to non-destructive photo editing.
By applying a Wigner-Seitz Analysis modifier, you can identify defects in a lattice. In the Top view, this allows you to quickly see the density of vacancies or interstitial atoms across the surface of your material. B. Coloring by Property