Multiscale Modelling of Ferroelectrics using a Physics-Informed Neural Network Driven by Molecular Dynamics Data: Parameter Identification and Field Reconstruction

Xuejian Wang, Frank Wendler, Hikaru Auzuma +5

In multiscale modeling of ferroelectrics, combining atomistic simulation with continuum-scale phase-field models (PFM) remains a fundamental challenge. A key difficulty lies in fai…