Browsing by Author "Chatzopoulos, Andreas"

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    Numerical simulations of metal-oxides
    (2015) Chatzopoulos, Andreas; Trebin, Hans-Rainer (Prof. Dr.)
    Oxides like silicates, alumina or periclase, are materials with significant properties and are therefore investigated extensively in experiment and in theory. The aim of this PhD thesis was to propose and further to develop methods, which make molecular dynamic simulations of oxides with large particle numbers and for long simulation times possible. The work consists of three parts. In the first one the already existing methods for simulating oxides will be discussed, while in the second one their methodological progress will be presented. The third chapter is solely reserved for the phenomenon of flexoelectricity, which has been discovered during the visualization of the crack propagation in alumina.