Zheng, C.; Raabe, D.: Interaction between recrystallization and phase transformation during intercritical annealing in a cold-rolled dual-phase steel: A cellular automaton model. Acta Materialia 61 (14), pp. 5504 - 5517 (2013)
Zheng, C.; Raabe, D.; Li, D.: Prediction of post-dynamic austenite-to-ferrite transformation and reverse transformation in a low-carbon steel by cellular automaton modeling. Acta Materialia 60, pp. 4768 - 4779 (2012)
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.