HRTEM image contrast is in most cases, especially for complex structures like nanoparticles, not easily interpretable. In order to investigate the influences of the structure on the HRTEM images, image simulations are necessary. For more realistic particle models which include surface relaxations, structural relaxation of the model particles prior to the image simulations is performed.
Metastable and Nanostructured Materials
Modelling and Simulations
The following methods have been used for nanomaterial investigations: