Scientific Publications

Chakraborty, J.; Harzer, T. P.; Duarte, M. J.; Dehm, G.: Phase decomposition in nanocrystalline Cr_0.8Cu_0.2 thin films. Journal of Alloys and Compounds 888, 161391 (2021)

Pei, Z.; Zhang, S.; Lei, Y.; Zhang, F.; Chen, M.: Decoupling between Shockley partials and stacking faults strengthens multiprincipal element alloys. Proceedings of the National Academy of Sciences of the United States of America 118 (51), e2114167118 (2021)

Rijal, B.; Tan, A. M. Z.; Freysoldt, C.; Hennig, R. G.: Charged vacancy defects in monolayer phosphorene. Physical Review Materials 5 (12), 124004 (2021)

Song, L.; Appel, F.; Stark, A.; Lorenz, U.; He, J.; He, Z.; Lin, J.; Zhang, T.; Pyczak, F.: On the reversibility of the α₂/ω₀ phase transformation in a high Nb containing TiAl alloy during high temperature deformation. Journal of Materials Science & Technology 93, pp. 96 - 102 (2021)

Alam, M.; Lymperakis, L.; Groh, S.; Neugebauer, J.: MEAM interatomic potentials of Ni, Re, and Ni–Re alloys for atomistic fracture simulations. Modelling and Simulation in Materials Science and Engineering 30 (1), 015002 (2021)

Després, A.; Antonov, S.; Mayer, C.; Veron, M.; Rauch, E. F.; Tassin, C.; Blandin, J.-J.; Kontis, P.; Martin, G.: Revealing the true partitioning character of zirconium in additively manufactured polycrystalline superalloys. Additive Manufacturing Letters 1, 100011 (2021)

Gierden, C.; Waimann, J.; Svendsen, B.; Reese, S.: A geometrically adapted reduced set of frequencies for a FFT-based microstructure simulation. Computer Methods in Applied Mechanics and Engineering 386, 114131 (2021)

Ikeda, Y.; Gubaev, K.; Neugebauer, J.; Grabowski, B.; Körmann, F.: Chemically induced local lattice distortions versus structural phase transformations in compositionally complex alloys. npj Computational Materials 7 (1), 34 (2021)

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)

Morgado, F. F.; Katnagallu, S.; Freysoldt, C.; Klaes, B.; Vurpillot, F.; Neugebauer, J.; Raabe, D.; Neumeier, S.; Gault, B.; Stephenson, L.: Revealing atomic-scale vacancy-solute interaction in nickel. Scripta Materialia 203, 114036 (2021)

Morgado, F. F.; Katnagallu, S.; Freysoldt, C.; Klaes, B.; Vurpillot, F.; Neugebauer, J.; Raabe, D.; Neumeier, S.; Gault, B.; Stephenson, L.: Corrigendum to Revealing atomic-scale vacancy-solute interaction in nickel (Scripta Materialia (2021) 203, (114036) (S135964622100316X), (10.1016/j.scriptamat.2021.114036)). Scripta Materialia 205, 114213 (2021)

Sekhar, A. P.; Nandy, S.; Bakkar, M. A.; Ray, K. K.; Das, D.: Low cycle fatigue response of differently aged AA6063 alloy: Statistical analysis and microstructural evolution. Materialia 20, 101219 (2021)

Springer, H.; Baron, C.; Tanure, L.; Rohwerder, M.: A combinatorial study of the effect of Al and Cr additions on the mechanical, physical and corrosion properties of Fe. Materials Today Communications 29, 102947 (2021)

Sun, B.; Lu, W.; Gault, B.; Ding, R.; Makineni, S. K.; Wan, D.; Wu, C.-H.; Chen, H.; Ponge, D.; Raabe, D.: Chemical heterogeneity enhances hydrogen resistance in high-strength steels. Nature Materials 20, pp. 1629 - 1634 (2021)

Wang, N.; Freysoldt, C.; Zhang, S.; Liebscher, C.; Neugebauer, J.: Segmentation of Static and Dynamic Atomic-Resolution Microscopy Data Sets with Unsupervised Machine Learning Using Local Symmetry Descriptors. Microscopy and Microanalysis 27 (6), pp. 1454 - 1464 (2021)

Wu, G.; Liu, C.; Brognara, A.; Ghidelli, M.; Bao, Y.; Liu, S.; Wu, X.; Xia, W.; Zhao, H.; Rao, J. et al.; Ponge, D.; Devulapalli, V.; Lu, W.; Dehm, G.; Raabe, D.; Li, Z.: Symbiotic crystal-glass alloys via dynamic chemical partitioning. Materials Today 51, pp. 6 - 14 (2021)

Yoo, S.-H.; Todorova, M.; Wickramaratne, D.; Weston, L.; Van de Walle, C. G.; Neugebauer, J.: Finite-size correction for slab supercell calculations of materials with spontaneous polarization. npj Computational Materials 7 (1), 58 (2021)

Andrianov, A, A. V.; Mendive-Tapia, E.; Beskrovnyi I, A.; Staunton, J. B.: Collapse of a region of the magnetic phase diagram of elemental terbium under a strain-induced Lifshitz transition. Physical Review B 104 (17), 174435 (2021)

Salaluk, S.; Jiang, S.; Viyanit, E.; Rohwerder, M.; Landfester, K.; Crespy, D.: Design of Nanostructured Protective Coatings with a Sensing Function. ACS Applied Materials and Interfaces 13 (44), pp. 53046 - 53054 (2021)

Yang, D.-C.; Jo, Y.-H.; Ikeda, Y.; Körmann, F.; Sohn, S. S.: Effects of cryogenic temperature on tensile and impact properties in a medium-entropy VCoNi alloy. Journal of Materials Science & Technology 90, pp. 159 - 167 (2021)