Hamidi Siboni, N.: Molecular Dynamics Studies of Thermodynamical Consistency and Non-locality of Effective Temperature. Dissertation, Aachen Institute for Advanced Study in Computational Engineering Science (AICES), RWTH Aachen University, Aachen, Germany (2014)
Ayodele, S. G.: Lattice Boltzmann modeling of advection-diffusion-reaction equations in non-equilibrium transport processes. Dissertation, RWTH Aachen, Aachen, Germany (2013)
Krüger, T.: Computer simulation study of collective phenomena in dense suspensions of red blood cells under shear. Dissertation, Ruhr-Universität Bochum, Bochum, Germany (2011)
Oxides find broad applications as catalysts or in electronic components, however are generally brittle materials where dislocations are difficult to activate in the covalent rigid lattice. Here, the link between plasticity and fracture is critical for wide-scale application of functional oxide materials.
In this project we conduct together with Dr. Sandlöbes at RWTH Aachen and the department of Prof. Neugebauer ab initio calculations for designing new Mg – Li alloys. Ab initio calculations can accurately predict basic structural, mechanical, and functional properties using only the atomic composition as a basis.