Publications

Publications

Journal Article (9)

  1. 1.
    Journal Article
    Rao, Z.; Ponge, D.; Körmann, F.; Ikeda, Y.; Schneeweiss, O.; Friák, M.; Neugebauer, J.; Raabe, D.; Li, Z.: Invar effects in FeNiCo medium entropy alloys: From an Invar treasure map to alloy design. Intermetallics 111, 106520 (2019)
  2. 2.
    Journal Article
    Janßen, J.; Surendralal, S.; Lysogorskiy, Y.; Todorova, M.; Hickel, T.; Drautz, R.; Neugebauer, J.: pyiron: An integrated development environment for computational materials sciences. Computational Materials Science 163, pp. 24 - 36 (2019)
  3. 3.
    Journal Article
    Sohn, S. S.; Kwiatkowski da Silva, A.; Ikeda, Y.; Körmann, F.; Lu, W.; Choi, W. S.; Gault, B.; Ponge, D.; Neugebauer, J.; Raabe, D.: Ultrastrong Medium‐Entropy Single‐Phase Alloys Designed via Severe Lattice Distortion. Advanced Materials 31, 1807142 (2019)
  4. 4.
    Journal Article
    Roters, F.; Diehl, M.; Shanthraj, P.; Eisenlohr, P.; Reuber, J. C.; Wong, S. L.; Maiti, T.; Ebrahimi, A.; Hochrainer, T.; Fabritius, H.-O. et al.; Nikolov, S. D.; Friák, M.; Fujita, N.; Grilli, N.; Janssens, K. G.F.; Jia, N.; Kok, P.; Ma, D.; Meier, F.; Werner, E.; Stricker, M.; Weygand, D. M.; Raabe, D.: DAMASK – The Düsseldorf Advanced Material Simulation Kit for modeling multi-physics crystal plasticity, thermal, and damage phenomena from the single crystal up to the component scale. Computational Materials Science 158, pp. 420 - 478 (2019)
  5. 5.
    Journal Article
    Lysogorskiy, Y.; Hammerschmidt, T.; Janßen, J.; Neugebauer, J.; Drautz, R.: Transferability of interatomic potentials for molybdenum and silicon. Modelling and Simulation in Materials Science and Engineering 27 (2), 025007 (2019)
  6. 6.
    Journal Article
    Ashton, M. W.; Trometer, N.; Mathew, K.; Suntivich, J.; Freysoldt, C.; Sinnott, S. B.; Hennig, R. G.: Predicting the Electrochemical Synthesis of 2D Materials from First Principles. The Journal of Physical Chemistry C 123 (5), pp. 3180 - 3187 (2019)
  7. 7.
    Journal Article
    Freysoldt, C.; Merz, P.; Schmidt, M.; Mohitkar, S.; Felser, C.; Neugebauer, J.; Jansen, M.: Discovery of Elusive K4O6, a Compound Stabilized by Configurational Entropy of Polarons. Angewandte Chemie 58 (1), pp. 149 - 153 (2019)
  8. 8.
    Journal Article
    Maurer, R. J.; Freysoldt, C.; Reilly, A. M.; Brandenburg, J. G.; Hofmann, O. T.; Björkman, T.; Lebègue, S.; Tkatchenko, A.: Advances in Density-Functional Calculations for Materials Modeling. Annual Review of Materials Research 49, pp. 1 - 30 (2019)
  9. 9.
    Journal Article
    Oh, H. S.; Kim, S. J.; Odbadrakh, K.; Ryu, W. H.; Yoon, K. N.; Mu, S.; Körmann, F.; Ikeda, Y.; Tasan, C. C.; Raabe, D. et al.; Egami, T.; Park, E. S.: Engineering atomic-level complexity in high-entropy and complex concentrated alloys. Nature Communications 10, 2090 (2019)

Talk (8)

  1. 10.
    Talk
    Raabe, D.; Ponge, D.; Kwiatkowski da Silva, A.; Makineni, S. K.; Katnagallu, S.; Stephenson, L.; Kontis, P.; Wu, X.; Freysoldt, C.; Neugebauer, J. et al.; Gault, B.: Chemistry at Lattice Defects Probed at Atomic Scale. The 53rd Annual Meeting of the Israel Society for Microscopy, Tel Aviv, Israel, Tel Aviv, Israel (2019)
  2. 11.
    Talk
    Raabe, D.; Ponge, D.; Kwiatkowski da Silva, A.; Makineni, S. K.; Katnagallu, S.; Stephenson, L.; Kontis, P.; Wu, X.; Freysoldt, C.; Neugebauer, J. et al.; Gault, B.: Interaction of Chemistry and Structure at Lattice Defects at Atomic Scale. Russell Berrie Nanotechnology Institute, Technion, Haifa, Israel, Haifa, Israel (2019)
  3. 12.
    Talk
    Raabe, D.; Katnagallu, S.; Stephenson, L.; Balachandran, S.; Freysoldt, C.; Neugebauer, J.; Gault, B.: Imaging single vacancies and atoms using joint FIM and APT experiments. Conference on Possibilities and Limitations of Quantitative Materials Modeling and Characterization, Bernkastel-Kues, Germany (2019)
  4. 13.
    Talk
    Raabe, D.; Ponge, D.; Kwiatkowski da Silva, A.; Makineni, S. K.; Katnagallu, S.; Stephenson, L.; Freysoldt, C.; Neugebauer, J.; Gault, B.: Chemistry and Structure of Lattice Defects. Physics Colloquium, Faculty of Physics, University Duisburg-Essen, Duisburg, Germany (2019)
  5. 14.
    Talk
    Rao, Z.; Li, Z.; Körmann, F.; Dutta, B.; Ponge, D.; Schäfer, L.; Skokov, K.; Gutfleisch, O.; Raabe, D.: Abnormal magnetic behavior of FeNiCoMnCu high entropy alloys. DPG Regensburg 2019, Regensburg, Germany (2019)
  6. 15.
    Talk
    Wu, X.; Ikeda, Y.; Körmann, F.; Raabe, D.; Li, Z.: Quinary TWIP-TRIP high-entropy alloys: design, microstructure and mechanical properties. DPG Regensburg 2019, Regensburg, Germany (2019)
  7. 16.
    Talk
    Dutta, B.; Rao, Z.; Schäfer, L.; Li, Z.; Gutfleisch, O.; Körmann, F.; Raabe, D.: Tuning magnetic properties of high entropy alloys: A combined theoretical and experimental study. DPG Regensburg 2019, Regensburg, Germany (2019)
  8. 17.
    Talk
    Raabe, D.; Ponge, D.; Kwiatkowski da Silva, A.; Katnagallu, S.; Stephenson, L.; Freysoldt, C.; Diehl, M.; Liebscher, C.; Kamachali, R. D.; Zaefferer, S. et al.; Neugebauer, J.; Sandlöbes, S.; Gault, B.; Scheu, C.; Roters, F.: From Atomistic Understanding to Engineering Design of Advanced Medium and High Manganese Steels. 4th International Conference on medium and high Manganese steels, Aachen, Germany (2019)

Poster (1)

  1. 18.
    Poster
    Rao, Z.; Ponge, D.; Körmann, F.; Ikeda, Y.; Schneeweiss, O.; Friák, M.; Neugebauer, J.; Raabe, D.; Li, Z.: Invar effects in FeNiCo medium entropy alloys: from an invar treasure map to alloy design. DPG Regensburg 2019, Regensburg, Germany (2019)
 
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