Cereceda, D.; Diehl, M.; Roters, F.; Raabe, D.; Perlado, J. M.; Marian, J.: Unraveling the temperature dependence of the yield strength in single-crystal tungsten using atomistically-informed crystal plasticity calcula- tions. International Journal of Plasticity 78, pp. 242 - 265 (2016)
Cereceda, D.; Diehl, M.; Roters, F.; Raabe, D.; Perlado, J. M.; Marian, J.: Understanding the Plastic Behavior of Tungsten From First Principles to Crystal Plasticity. International Mechanical Engineering Congress & Exposition (IMECE) 2019, Salt Lake City, UT, USA (2019)
Marian, J.; Cereceda, D.; Diehl, M.; Roters, F.; Raabe, D.: Unraveling the temperature dependence of the yield strength of tungsten single crystals using atomistically-informed crystal plasticity. 8th International Conference on Multiscale Materials Modeling, MMM2016, Dijon, France (2016)
Cereceda, D.; Diehl, M.; Roters, F.; Raabe, D.; Marian, J.: Unraveling the temperature dependence of the yield strength in BCC metals from atomistically-informed crystal plasticity calculation. Dislocations 2016, Purdue University, West Lafayette, IN, USA (2016)
Cereceda, D.; Diehl, M.; Roters, F.; Raabe, D.; Perlado, J. M.; Marian, J.: An atomistically-informed crystal plasticity model to predict the temperature dependence of the yield strength of single-crystal tungsten. XXV International Workshop on Computational Micromechanics of Materials, Bochum, Germany (2015)
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
This project will aim at developing MEMS based nanoforce sensors with capacitive sensing capabilities. The nanoforce sensors will be further incorporated with in situ SEM and TEM small scale testing systems, for allowing simultaneous visualization of the deformation process during mechanical tests
The utilization of Kelvin Probe (KP) techniques for spatially resolved high sensitivity measurement of hydrogen has been a major break-through for our work on hydrogen in materials. A relatively straight forward approach was hydrogen mapping for supporting research on hydrogen embrittlement that was successfully applied on different materials, and…
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…
Photovoltaic materials have seen rapid development in the past decades, propelling the global transition towards a sustainable and CO2-free economy. Storing the day-time energy for night-time usage has become a major challenge to integrate sizeable solar farms into the electrical grid. Developing technologies to convert solar energy directly into…
Crystal Plasticity (CP) modeling [1] is a powerful and well established computational materials science tool to investigate mechanical structure–property relations in crystalline materials. It has been successfully applied to study diverse micromechanical phenomena ranging from strain hardening in single crystals to texture evolution in…