Publications

Journal Article (6)

1. 1.
   MPG.PuRe

   DOI

   supplementary-material
   Journal Article

   Glensk, A.; Grabowski, B.; Hickel, T.; Neugebauer, J.; Neuhaus, J.; Hradil, K.; Petry, W.; Leitner, M.: Phonon Lifetimes throughout the Brillouin Zone at Elevated Temperatures from Experiment and Ab Initio. Physical Review Letters 123 (23), 235501 (2019)
2. 2.
   MPG.PuRe

   DOI
   Journal Article

   Ikeda, Y.; Tanaka, I.; Neugebauer, J.; Körmann, F.: Impact of interstitial C on phase stability and stacking-fault energy of the CrMnFeCoNi high-entropy alloy. Physical Review Materials 3 (11), 113603 (2019)
3. 3.
   MPG.PuRe

   DOI
   Journal Article

   Korbmacher, D.; Glensk, A.; Duff, A. I.; Finnis, M. W.; Grabowski, B.; Neugebauer, J.: Ab initio based method to study structural phase transitions in dynamically unstable crystals, with new insights on the β to ω transformation in titanium. Physical Review B 100 (10), 104110 (2019)
4. 4.
   MPG.PuRe

   DOI
   Journal Article

   Sözen, H. I.; Semih, E.; Maccari, F.; Skokov, K.; Gutfleisch, O.; Körmann, F.; Neugebauer, J.; Hickel, T.: Ab initio phase stabilities of Ce-based hard magnetic materials and comparison with experimental phase diagrams. Physical Review Materials 3, 084407 (2019)
5. 5.
   MPG.PuRe

   DOI
   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)
6. 6.
   MPG.PuRe

   DOI
   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)

Talk (4)

1. 7.
   MPG.PuRe
   Talk

   Zendegani, A.; Šlapáková Poková, M.; Liebscher, C.; Stein, F.; Kumar, K. S.; Hammerschmidt, T.; Hickel, T.; Neugebauer, J.: Atomistic investigation of stacking faults in non-stoichiometric Fe–Nb Alloys. EUROMAT 2019, Stockholm, Sweden (2019)
2. 8.
   MPG.PuRe
   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)
3. 9.
   MPG.PuRe
   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)
4. 10.
   MPG.PuRe
   Talk

   Zendegani, A.; Körmann, F.; Neugebauer, J.; Hickel, T.: Energetics of non-stoichiometric stacking faults in Fe–Nb alloys: An ab initio study. TMS 2019, San Antonio, TX, USA (2019)

Poster (2)

1. 11.
   MPG.PuRe
   Poster

   Bajaj, P.; Kürnsteiner, P.; Gupta, A.; Wilms, M. B.; Hickel, T.; Weisheit, A.; Jägle, E. A.; Raabe, D.: Intrinsic Heat Treatment in Al–Sc Alloys During Laser Metal Deposition - Driving Factors, Kinetics and Effect of Impurities. Alloys for Additive Manufacturing Symposium 2019 (AAMS2019), Chalmers University of Technology, Gothenburg, Sweden (2019)
2. 12.
   MPG.PuRe
   Poster

   Zendegani, A.; Šlapáková Poková, M.; Liebscher, C.; Stein, F.; Kumar, K. S.; Hammerschmidt, T.; Hickel, T.; Neugebauer, J.: Relative stability of stacking faults in Fe–Nb alloys in comparison with the convex hull for bulk phases. CALPHAD XLVIII, Singapore, Singapore (2019)