Jäpel, T.: Feasibility study on local elastic strain measurements with an EBSD pattern cross correlation method in elastic-plastically deforming material. Dissertation, RWTH Aachen, 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.
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…