Motaman, S. A. H.; Roters, F.; Haase, C.: Anisotropic polycrystal plasticity due to microstructural heterogeneity: A multi-scale experimental and numerical study on additively manufactured metallic materials. Acta Materialia 185, pp. 340 - 369 (2020)
Zaefferer, S.; Motaman, S. A. H.: Metallic Materials (Microstructure, Microscopy, Modelling). Lecture: SS 2021, RWTH Aachen University, April 12, 2021 - July 23, 2021
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.
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…