Accelerating phase-field-based simulation via machine learning
Iman Peivaste, Nima H. Siboni, Ghasem Alahyarizadeh, Reza Ghaderi, Bob Svendsen, Dierk Raabe, Jaber R. Mianroodi
Phase-field-based models have become common in material science, mechanics,
physics, biology, chemistry, and engineering for the simulation of
microstructure evolution. Yet, they suffer from the drawback of being
computationally very costly when applied to large, complex systems. To reduce
such computational costs, a Unet-based artificial neural network is developed
as a surrogate model in the current work. Training input for this network is
obtained from the results of the numerical solution of initial-boundary-value
problems (IBVPs) based on the Fan-Chen model for grain microstructure
evolution. In particular, about 250 different simulations with varying initial
order parameters are carried out and 200 frames of the time evolution of the
phase fields are stored for each simulation. The network is trained with 90% of
this data, taking the $i$-th frame of a simulation, i.e. order parameter field,
as input, and producing the $(i+1)$-th frame as the output. Evaluation of the
network is carried out with a test dataset consisting of 2200 microstructures
based on different configurations than originally used for training. The
trained network is applied recursively on initial order parameters to calculate
the time evolution of the phase fields. The results are compared to the ones
obtained from the conventional numerical solution in terms of the errors in
order parameters and the system's free energy. The resulting order parameter
error averaged over all points and all simulation cases is 0.005 and the
relative error in the total free energy in all simulation boxes does not exceed
1%.