Public codes & datasets

Anisotropic grain growth with misorientation and inclination dependence

• Supporting Material for Improved Quantitative Phase-Field Approach for Simulating Grain Coarsening in Anisotropic Systems with Arbitrary Inclination and Misorientation Dependence, DOI:10.17632/87jztf6yt5.3, -- (Matlab)

• Script to compute phase-field parameters for given set of grain boundary properties, anisotropy through gamma and L  (Materials & Design, 217, 110592, 2022) -- (Matlab)

• Script to compute phase-field parameters for given set of grain boundary properties, anisotropy through kappa, gamma and L  (Phys. Rev. B, 78, 024113, 2008) -- (Matlab)

• Numerically calculated values of g(gamma) and f_int(gamma) functions (Phys. Rev. B, 78, 024113, 2008 and Materials & Design, 217, 110592, 2022) -- (Matlab, text editor)

• Comparison of three different strategies to introduce anisotropic interface properties in a multi-phase-field model. DOI: 10.17632/5wrv3ky9pp.2  -- (Matlab)

Data driven methods to use CALPHAD Gibbs energies and mobilities in phase-field simulations

• Combining thermodynamics with tensor completion techniques to enable multicomponent microstructure prediction -- codes, DOI:10.17632/tjm3yjs3pc.1 -- (Matlab, TC toolbox)

• Phase-field approach to simulate BCC-B2 phase separation in the AlnCrFe2Ni2 medium-entropy alloy, : codes, data and simulation results, using a neural network model for the CALPHAD Gibbs energies and atomic mobilities. DOI: 10.17632/d65hcj2xkx.1 -- (Matlab, TC toolbox, MOOSE, Python)

• A Grand-Potential Based Phase-Field Approach for Simulating Growth of Intermetallic Phases in Multicomponent Alloy Systems, DOI:10.17632/4wzgh8nwzr.1 -- (Matlab, TC toolbox, MOOSE)

Molecular statistics to compute material properties

• Molecular Statistics (MST) Source Codes, doi: 10.17632/k9f4nfb7bn.1 -- (Matlab)

Microstructure Simulation Lab Leuven