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

In multiscale modeling of ferroelectrics, combining atomistic simulation with continuum-scale phase-field models (PFM) remains a fundamental challenge.

In multiscale modeling of ferroelectrics, combining atomistic simulation with continuum-scale phase-field models (PFM) remains a fundamental challenge. A key difficulty lies in faithfully capturing discrete atomic-level information within a continuum modeling framework, while…