Dutta, B.: Coupling of magnetic and lattice degrees of freedom in magnetic Heusler alloys: Consequences for phase diagrams. Seminar at Materials Research Centre, Indian Institute of Science, Bengaluru, India (2017)
Dutta, B.; Hickel, T.; Neugebauer, J.: Finite temperature excitation mechanisms and their coupling in magnetic shape memory alloys. The Materials Research Centre (MRC), Indian Institute of Science (IISc), Bangalore, India (2017)
Dutta, B.; Begum, V.; Hickel, T.; Neugebauer, J.: Impact of doping on the magnetic and structural transformations in magnetocaloric materials. DPG Spring Meeting of the Condensed Matter Section, Dresden, Germany (2017)
Dutta, B.; Hickel, T.; Neugebauer, J.: Ab initio modelling of phase diagrams in magnetic Heusler alloys: achievements and future challenges. SUSTech Global Scientists Forum, Shenzhen, China (2017)
Dutta, B.; Hickel, T.; Neugebauer, J.: Intermartensitic Phase Boundaries in Ni–Mn–Ga Alloys: A Viewpoint from Ab initio Thermodynamics. 5th International Conference on Ferromagnetic Shape Memory Alloys, Sendai, Japan (2016)
Dutta, B.; Hickel, T.; Neugebauer, J.: Phase diagrams in magnetic shape memory alloys: Insights obtained from ab initio thermodynamics. The forty-fifth International Conference on Computer Coupling of Phase Diagrams and Thermochemistry, Awaji Island, Hyogo, Japan (2016)
Dutta, B.; Debashish, D.; Ghosh, S.; Sanyal, B.; Hickel, T.; Neugebauer, J.: Intricacies of phonon line shapes in random alloys: A first-principles study. DPG Spring Meeting of the Condensed Matter Section, Regensburg, Germany (2016)
Dutta, B.; Begum, V.; Hickel, T.; Neugebauer, J.: Impact of point defects on the phase stability in Heusler alloys: A first-principles study. DPG Spring Meeting of the Condensed Matter Section, Regensburg, Germany (2016)
Dutta, B.; Körmann, F.; Hickel, T.; Ghosh, S.; Sanyal, B.; Neugebauer, J.: The Itinerant Coherent Potential Approximation for phonons: role of fluctuations for systems with magnetic and chemical disorder. Materials Theory Group, Oak Ridge National Laboratory, Oak Ridge, TN, USA (2015)
Dutta, B.; Körmann, F.; Hickel, T.; Neugebauer, J.: The itinerant coherent potential approximation for phonons: Role of fluctuations for systems with magnetic disorder. 2nd German-Austrian Workshop, Kirchdorf, Austria (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…