Rester, M.; Kiener, D.; Kreuzer, H. G.M.; Dehm, G.; Motz, C.: Microstructural investigation of the deformation zone below nanoindents in copper, silver and nickel. Hysitron Workshop and Usermeeting, München, Germany (2006)
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…