tricor

Generate disordered atomic supercells guided by three-body (g3) distributions, spanning the full spectrum from liquid to nanocrystalline.

Silicon, liquid → nanocrystalline. See Static Examples → Silicon.

Overview

tricor builds periodic supercells with controllable disorder, from fully liquid to nanocrystalline, by combining Voronoi grain construction with spring-network relaxation. The resulting structures are characterized by their rooted three-body (g3) distributions, which capture both radial and angular correlations.

Key features:

  • Rapidly generate structures from liquid to nanocrystalline with a single call

  • Voronoi grain construction with per-species-pair bond topology

  • Interactive g3 distribution widgets for Jupyter (Three.js + anywidget)

  • Self-contained HTML exporters for trajectories, g3 heatmaps, and multi-cell overviews

  • Rotating MP4 / GIF movie export for publication figures

  • Works with any crystal structure (Si, SiC, oxides, metals, etc.)