Open Access Publications

Kühbach, M. T.; Bajaj, P.; Zhao, H.; Çelik, M. H.; Jägle, E. A.; Gault, B.: On strong-scaling and open-source tools for analyzing atom probe tomography data. npj Computational Materials 7 (1), 21 (2021)

Wei, Y.; Varanasi, R. S.; Schwarz, T.; Gomell, L.; Zhao, H.; Larson, D. J.; Sun, B.; Liu, G.; Chen, H.; Raabe, D. et al.; Gault, B.: Machine-learning-enhanced time-of-flight mass spectrometry analysis. Patterns 2 (2), 100192 (2021)

Ye, X.; Yan, F.; Schäfer, L.; Wang, D.; Geßwein, H.; Wang, W.; Chellali, M. R.; Stephenson, L.; Skokov, K.; Gutfleisch, O. et al.; Raabe, D.; Hahn, H.; Gault, B.; Kruk, R.: Magnetoelectric Tuning of Pinning‐Type Permanent Magnets through Atomic‐Scale Engineering of Grain Boundaries. Advanced Materials 33 (5), 2006853 (2021)

Gallardo-Basile, F.-J.; Naunheim, Y.; Roters, F.; Diehl, M.: Lath Martensite Microstructure Modeling: A High-Resolution Crystal Plasticity Simulation Study. Materials, Special Issue "Micromechanics: Experiment, Modeling and Theory" 14 (3), pp. 691 - 709 (2021)

Zhu, L.-F.; Janßen, J.; Ishibashi, S.; Körmann, F.; Grabowski, B.; Neugebauer, J.: A fully automated approach to calculate the melting temperature of elemental crystals. Computational Materials Science 187 (11), 110065 (2021)

Kies, F.; Wu, X.; Hallstedt, B.; Li, Z.; Haase, C.: Enhanced precipitation strengthening of multi-principal element alloys by κ- and B2-phases. Materials and Design 198, 109315 (2021)

Mendive-Tapia, E.; dos Santos Dias, M.; Grytsiuk, S.; Staunton, J. B.; Blügel, S.; Lounis, S.: Short period magnetization texture of B20-MnGe explained by thermally fluctuating local moments. Physical Review B 103 (2), 024410 (2021)

Ferrari, A.; Körmann, F.: Surface segregation in Cr–Mn–Fe–Co–Ni high entropy alloys. Applied Surface Science 533, 147471 (2020)

Kamachali, R. D.; Kwiatkowski da Silva, A.; McEniry, E.; Ponge, D.; Gault, B.; Neugebauer, J.; Raabe, D.: Segregation-assisted spinodal and transient spinodal phase separation at grain boundaries. npj Computational Materials 6, 191 (2020)

Nadarajah, R.; Tahir, S.; Landers, J.; Koch, D.; Semisalova, A. S.; Wiemeler, J.; El-Zoka, A.; Kim, S.-H.; Utzat, D.; Möller, R. et al.; Gault, B.; Wende, H.; Farle, M.; Gökce, B.: Controlling the Oxidation of Magnetic and Electrically Conductive Solid-Solution Iron-Rhodium Nanoparticles Synthesized by Laser Ablation in Liquids. Nanomaterials 10 (12), 2362 (2020)

Wang, Z.; Lu, W.; Zhao, H.; Liebscher, C.; He, J.; Ponge, D.; Raabe, D.; Li, Z.: Ultrastrong lightweight compositionally complex steels via dual-nanoprecipitation. Science Advances 6 (46), eaba9543 (2020)

Kostiuchenko, T.; Ruban, A. V.; Neugebauer, J.; Shapeev, A.; Körmann, F.: Short-range order in face-centered cubic VCoNi alloys. Physical Review Materials 4, 113802 (2020)

Sedighiani, K.; Diehl, M.; Traka, K.; Roters, A.; Sietsma, J.; Raabe, D.: An efficient and robust approach to determine material parameters of crystal plasticity constitutive laws from macro-scale stress-strain curves. International Journal of Plasticity 134, 102779 (2020)

Kasemer, M.; Falkinger, G.; Roters, F.: A numerical study of the influence of crystal plasticity modeling parameters on the plastic anisotropy of rolled aluminum sheet. Modelling and Simulation in Materials Science and Engineering 28 (8), 085005 (2020)

Kahrobaee, Z.; Palm, M.: Critical Assessment of the Al–Ti–Zr System. Journal of Phase Equilibra and Diffusion 41, pp. 687 - 701 (2020)

Hegde, O.; Grabowski, M.; Zhang, X.; Waseda, O.; Hickel, T.; Freysoldt, C.; Neugebauer, J.: Atomic relaxation around defects in magnetically disordered materials computed by atomic spin constraints within an efficient Lagrange formalism. Physical Review B 102 (14), 144101 (2020)

Kasian, O.; Li, T.; Mingers, A. M.; Schweinar, K.; Savan, A.; Ludwig, A.; Mayrhofer, K. J. J.: Stabilization of an iridium oxygen evolution catalyst by titanium oxides. Journal of Physics: Energy, 100258.R1 (2020)

Rabe, M.; Kerth, A.; Blume, A.; Garidel, P.: Albumin displacement at the air-water interface by Tween (Polysorbate) surfactants. European Biophysics Journal with Biophysics Letters (2020)

Raabe, D.; Sun, B.; Kwiatkowski da Silva, A.; Gault, B.; Yen, H.-W.; Sedighiani, K.; Thoudden Sukumar, P.; Souza Filho, I. R.; Katnagallu, S.; Jägle, E. A. et al.; Kürnsteiner, P.; Kusampudi, N.; Stephenson, L.; Herbig, M.; Liebscher, C.; Springer, H.; Zaefferer, S.; Shah, V.; Wong, S. L.; Baron, C.; Diehl, M.; Roters, F.; Ponge, D.: Current Challenges and Opportunities in Microstructure-Related Properties of Advanced High-Strength Steels. Metallurgical and Materials Transactions A 50th Anniversary Collection 51, pp. 5517 - 5586 (2020)

Aota, L. S.; Bajaj, P.; Sandim, H. R. Z.; Jägle, E. A.: Laser Powder-Bed Fusion as an Alloy Development Tool: Parameter Selection for In-Situ Alloying Using Elemental Powders. Materials 13 (18), 3922 (2020)