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)
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
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…
Complex simulation protocols combine distinctly different computer codes and have to run on heterogeneous computer architectures. To enable these complex simulation protocols, the CM department has developed pyiron.
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…
Atom probe tomography (APT) provides three dimensional(3D) chemical mapping of materials at sub nanometer spatial resolution. In this project, we develop machine-learning tools to facilitate the microstructure analysis of APT data sets in a well-controlled way.