Configurational forces in ferroelectric structures analyzed by a macromechanical switching model (Q6157701)

The authors propose a three-dimensional finite element analysis, using a phenomenological continuum mechanics model, to compute the nonlinear coupled electromechanical behavior of polycrystalline ferroelectric ceramics. Within this approach, the main emphasis is put on the computation of configurational forces. These express the thermodynamic driving forces acting on existing defect structures in the nonlinear ferroelectric material. Heterogeneous ferroelectric structures are considered, which may contain field concentrations like holes, notches, cracks, inclusions of dissimilar dielectric or ferroelectric materials, and interfaces between those. Helmholtz free energy is defined, which is the sum of reversible remanent parts. The latter represents an additional contribution associated only with the internal state of the material and depends on the remanent strain and the remanent polarization. It is described in the same way as for plasticity with hardening, with an exponential increase near saturation. Using an associated flow rule, the increments of remanent strain and polarization are found as normal to the loading (switching) surface. The remanent strain behavior is assumed to follow the isotropy of the polycrystalline ferroelectric material. A consistent thermodynamical theory of material configurational forces is proposed, based on the hypothesis that the configurational force produces an infinitesimal change in the total potential energy of the deformed body if the defect acquires an infinitesimal shift in its material configuration. An Abaqus flow chart is presented for the calculation of these forces. Numerical simulation is presented to track the evolution of all field variables, in particular of the polarization, under an applied cyclic electric field. The configurational forces are computed for the domain switching in 3D ferroelectrics. Applications to different structures with defects are carried out. Examples are a plate with a hole, an inhomogeneity, or a bi-material strip. The large influence of the occurring non-uniform distribution of the remanent strains and polarization is revealed, which may be responsible for damage initiation and failure. The obtained results allow to explore the impact of material inhomogeneities in ferroelectric devices and composites subjected to electromechanical loading. The developed software can serve as a basis for further investigations on the failure of composite smart structures and explicit crack modeling using fracture mechanical concepts.