Dubosq, R.; Schneider, D.; Alfredo, C.; Gault, B.: Strain hardening induced by crystal plasticity: A new mechanism for brittle failure in garnets. Earth and Planetary Science Letters 617, 118273 (2023)
Dubosq, R.; Schneider, D.; Zhou, X.; Gault, B.; Langelier, B.; Pleše, P.: Bubbles and atom clusters in rock melts: A chicken and egg problem. Journal of Volcanology and Geothermal Research 428, 107574 (2022)
Dubosq, R.; Rogowitz, A.; Schweinar, K.; Gault, B.; Schneider, D.: A 2D and 3D nanostructural study of naturally deformed pyrite: assessing the links between trace element mobility and defect structures. Contributions to Mineralogy and Petrology 174, 72 (2019)
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
Hydrogen in aluminium can cause embrittlement and critical failure. However, the behaviour of hydrogen in aluminium was not yet understood. Scientists at the Max-Planck-Institut für Eisenforschung were able to locate hydrogen inside aluminium’s microstructure and designed strategies to trap the hydrogen atoms inside the microstructure. This can…
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…