Kawin: A Kampmann-Wagner Numerical (KWN) phase precipitation and coarsening modeling code(NPO-52029-1)

Kawin is an open-source Python library for simulating precipitation behavior in alloys using the Kampmann-Wagner Numerical (KWN) model coupled with Calphad-based thermodynamics. The Calphad coupling is done through the open-source PyCalphad software, which allows for the usage of .TDB databases for thermodynamic and mobility parameters; however, this package also allows the user the define their own thermodynamic calculations. Methods for creating surrogate models on top of the thermodynamic calculations are also introduced in this package, which can greatly reduce computational time. The usage of surrogate models expands the applications of the KWN model by allowing for quicker exploration and/or calibration of model parameters and incorporation into larger scale simulations.