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Abstract: In this talk, a new modeling approach is described for
simulating the properties of dielectric nano/microstructures with
coupled polar and elastic degrees of freedom, as well as the dependence
of these properties on the structure size, shape, morphology and applied
conditions. The versatility of this approach is exemplified in studying
the following systems: (i) Zn-ZnO and ZnO-TiO2 semiconducting core-shell
nanoparticles and the influence of their size, elastic anisotropy,
microstructure and applied pressure on their optical properties; (ii)
Ferroelectric PbTiO3 and BaTiO3 nanoparticles embedded in a dielectric
medium, and the dependence on their polarization-field topology and
transitions on particle shape and size, dielectric medium strength,
electric field, as well as other factors; (iii) Artificial layered-oxide
material exhibiting polar Goldstone-like (or phason) excitations and its
electrocaloric properties that are tuneable under a wide range of
conditions. The results of these investigations highlight the great
promise of functional nano/microstructures for a variety of advanced
engineering applications, including electrothermal energy
interconversion, non-volatile multibit memories, opto- and
low-power-electronics, as well as metamaterials by design.