Browsing by Author "Anand, Olena"

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    Micromechanical modeling of ferroelectric thin films and bulk ceramics in a multi-scale approach
    (2012) Anand, Olena; Trebin, Hans-Rainer (Prof. Dr.)
    In the present work systematic calculations of piezo- and ferroelectric properties of barium titanate (BTO), lead titanate (PTO) and lead zirconate titanate (PZT) thin films and bulk ceramics are performed using novel multi-scale coupling techniques and one-scale modeling procedures. The results are discussed aiming at the prediction of macroscopic linear and non-linear properties. It is demonstrated that the results of simulations allow the understanding of several previously non-conceivable experimental findings, such as an extremely low dielectric coefficient of PTO ceramics in comparison to the PTO thin film and BTO bulk ceramics. The multi-scale scheme elaborated in this thesis has been shown to possess a high predictability under certain conditions. It might be therefore useful for simulation of further classes of ferroelectrics and for development of new ceramics, for which the experimental data are not yet available. Furthermore, existing approaches realizing realistic grain models are discussed and a new procedure generating 3D periodic extendable grain structures with a given lognormal grain size distribution and periodically extendable finite-element meshes is proposed in the present thesis. By means of such models FE simulations with periodic boundary conditions, giving a more realistic description of thin films and bulk materials, can be performed.