Lai, M.: Experimental-theoretical study of the interplay between deformation mechanisms and secondary phases in metastable β titanium alloys. Dissertation, RWTH Aachen, Aachen, Germany (2016)
Diehl, M.: High Resolution Crystal Plasticity Simulations. Dissertation, Aachen Institute for Advanced Study in Computational Engineering Science (AICES), RWTH Aachen University, Aachen, Germany (2015)
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)
Max Planck scientists design a process that merges metal extraction, alloying and processing into one single, eco-friendly step. Their results are now published in the journal Nature.
Scientists of the Max-Planck-Institut für Eisenforschung pioneer new machine learning model for corrosion-resistant alloy design. Their results are now published in the journal Science Advances
It is very challenging to simulate electron-transfer reactions under potential control within high-level electronic structure theory, e. g. to study electrochemical and electrocatalytic reaction mechanisms. We develop a novel method to sample the canonical NVTΦ or NpTΦ ensemble at constant electrode potential in ab initio molecular dynamics…