Bhat, M. K.; Frommeyer, L.; Prithiv, T. S.; Dehm, G.; Best, J. P.: Using small-scale mechanics to probe the origins of segregation-induced strengthening. Nanomechanical Testing in Materials Research and Development VIII, Split, Croatia (2022)
Devulapalli, V.; Hans, M.; Prithiv, T. S.; Schneider, J. M.; Dehm, G.; Liebscher, C.: Unravelling the atomic structure and segregation of Ʃ13 [0001] tilt grain boundaries in titanium by advanced STEM. Microscopy Conference 2021 & Multinational Conference on Microscopy 2021, Vienna, Austria (2021)
Prithiv, T. S.: Grain boundary segregation of boron and carbon and their local chemical effects on the phase transformations in steels. Dissertation, Faculty of Georesources and Materials Engineering of the RWTH Aachen, Germany (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…