Materials Hub
Overview
The MaterialsHub group creates tools centered around atomic modeling of diffusion and defects.
Resources
in: Tools
Play a 2-D diffusion game
Grain Boundary Diffusion Calculatorin: Tools
Calculates the effective diffusivity in a grain boundary network with two types of randomly...
Diffusion Calculator: HCP Dilute Solutesin: Tools
This tool calculates the diffusivity of a dilute solute in an HCP lattice with the 8-frequency...
Diffusion Calculator: FCC Dilute Solutesin: Tools
This tool calculates the diffusivity of a dilute solute in an FCC lattice with the 5-frequency...
Particle Trajectory Diffusion Analysisin: Tools
Computes mean squared displacements and tracer diffusion coefficients from particle position data...
Our tool development is funded through the NSF Software Infrastructure for Sustained Innovation program award number 1148011.
For other software and tools, see the University of Wisconsin-Madison Computational Materials Group webpage.
