A grain boundary generation code

Script for the generation of finite-thickness interface elements for polycrystal microstructure modelling

PXO (Poly-XTAL Operations). Generate, analyze and export complex 2D space partitions like metallic grain structures

Implementation of the hierarchical smooth algorithm applicable to voxelated images of interface networks ( grain boundaries, soap foam, etc. )

Interpolate grain boundary properties in a 5 degree-of-freedom sense via a novel distance metric.

Codes for automating standard VASP and VASP-related calculations.

Grand canonical optimization of grain boundary phases.

Grain-boundary generator with Atomman

Analysis of GB thermal grooves from AFM images

Generate, naively, an atomic polycrystalline sample.

Converting .geo file from neper to Mechanical Apdl commands using python

Code to generate, analyse and visualise the atomistic structures used in the listed Zr GB manuscripts

A code that analyses grains from microstructure images, providing informations such as number of grains and grain size

A spin-off code of the 'Voronoi PCC Analyser' software project. Created as a simulation tool for nucleation-and-growth (NAG) structure evolution processes based on the discrete combinatorial representation of 2D and 3D polycrystalline materials.