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Computer modeling and simulation is performed to study the domain stabilization effect due to short-range ordering of charged point defects in aged ferroelectrics. Phase field model takes into account various energetic contributions involved in domain aging phenomenon, including chemical, domain wall, electrostatic and elastostatic energies, as well as domain-dependent internal electric field associated with the short-range ordering of charged point defects. The internal electric field strength is estimated by the computer simulation. Clausius–Clapeyron-type thermodynamic analysis of field-induced ferroelectric phase transition is used to evaluate aging-produced internal field strength from relevant experimental data, which is in agreement with the computer simulation. [ABSTRACT FROM AUTHOR]

We report on the direct observation of tetragonal nanodomains within an average monoclinic MC phase of Pb(Mg1/3Nb2/3)O3-0.35PbTiO3 single crystals by high-resolution transmission electron microscopy. These nanodomains are geometrically arranged in alternating layers of twins. The findings are consistent with the fundamental underlying assumptions of the ferroelectric adaptive phase theory [Y. M. Jin et al., Phys. Rev. Lett. 91, 197601 (2003)]. [ABSTRACT FROM AUTHOR]

Computer modeling and simulation reveals a grain size- and composition-dependent behavior of phase coexistence around the morphotropic phase boundaries in polycrystals of ferroelectric solid solutions. It shows that the width of phase coexistence composition range increases with decreasing grain sizes; phase-coexisting domain microstructures effectively reduce elastostatic, electrostatic, and domain wall energies; and grain boundaries impose internal mechanical and electric boundary conditions, which affect the phase-coexisting domain microstructures in the grains and give rise to the grain size effect of phase coexistence. [ABSTRACT FROM AUTHOR]