Dick, A.; Hickel, T.; Neugebauer, J.: First Principles Predictions of Stacking Fault Properties in FeMn Alloys. Asia Steel Conference 2009, Busan, South Korea (2009)
Körmann, F.; Dick, A.; Grabowski, B.; Hickel, T.; Neugebauer, J.: The free energy of iron: Integrated ab initio derivation of vibrational, electronic, and magnetic contributions. DPG Spring Meeting 2009, Dresden, Germany (2009)
Dick, A.; Hickel, T.; Neugebauer, J.: First Principles Predictions of Mechanical Properties of FeMn-Alloys. Workshop des SFB761, Beilngries, Germany (2008)
Körmann, F.; Dick, A.; Grabowski, B.; Hickel, T.; Neugebauer, J.: The free energy of bcc iron: Integrated ab initio derivation of vibrational, electronic, and magnetic contributions. Computational Materials Science Workshop, Ebernburg Castle, Germany (2008)
Körmann, F.; Dick, A.; Grabowski, B.; Hickel, T.; Neugebauer, J.: The free energy of bcc iron: Integrated ab initio derivation of vibrational, electronic, and magnetic contributions. International Workshop on Ab initio Description of Iron and Steel (ADIS2008), Ringberg Castle, Germany (2008)
Dick, A.; Neugebauer, J.: Ab initio STM and STS simulations on magnetic and nonmagnetic metallic surfaces. Computational Materials Science Workshop, Goslar, Germany (2007)
Abu-Farsakh, H.; Dick, A.; Neugebauer, J.: Incorporation of N at GaAs and InAs surfaces. Deutsche Physikalische Gesellschaft Spring Meeting of the Division Condensed Matter, Dresden, Germany (2006)
Dick, A.; Neugebauer, J.: Probing of bulk band edges by STM: An ab initio analysis. Deutsche Physikalische Gesellschaft - Spring Meeting of the Division Condensed Matter, Dresden, Germany (2006)
Körmann, F.; Dick, A.; Hickel, T.; Neugebauer, J.: Integrating finite temperature magnetism into ab initio free energy calculations. Calphad XL, Rio de Janeiro, Brazil (2011)
Körmann, F.; Dick, A.; Hickel, T.; Neugebauer, J.: Integrating finite temperature magnetism into ab initio free energy calculations. TMS 2011 Annual Meeting, San Diego, CA, USA (2011)
Udyansky, A.; von Pezold, J.; Dick, A.; Neugebauer, J.: Martensite formation in dilute Fe-based solid solutions: Ab initio based multi-scale approach. Ab initio Description of Iron and Steel: Mechanical properties, 468. Wilhelm und Else Heraeus-Seminar, Ringberg, Germany (2010)
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
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…
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…
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…
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…
Statistical significance in materials science is a challenge that has been trying to overcome by miniaturization. However, this process is still limited to 4-5 tests per parameter variance, i.e. Size, orientation, grain size, composition, etc. as the process of fabricating pillars and testing has to be done one by one. With this project, we aim to…