The MaterialsHub group creates tools centered around atomic modeling of diffusion and defects.
This tool provides non-rigid registration and averaging of a series of scanning transmission...Particle Trajectory Diffusion Analysis
Computes mean squared displacements and tracer diffusion coefficients from particle position...Diffusion Calculator: HCP Dilute Solutes
This tool calculates the diffusivity of a dilute solute in an HCP lattice with the 8-frequency...Diffusion Calculator: FCC Dilute Solutes
This tool calculates the diffusivity of a dilute solute in an FCC lattice with the 5-frequency...Grain Boundary Diffusion Calculator
Calculates the effective diffusivity in a grain boundary network with two types of randomly...
Our tool development is funded through the NSF Software Infrastructure for Sustained Innovation program award number 1148011.