Open Access 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)

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)

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)

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)

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)

Wesselmecking, S.; Haupt, M.; Ma, Y.; Song, W.; Hirt, G.; Bleck, W.: Mechanism-controlled thermomechanical treatment of high manganese steels. Materials Science and Engineering A: Structural Materials Properties Microstructure and Processing 828, 142056 (2021)

Sedighiani, K.; Shah, V.; Traka, K.; Diehl, M.; Roters, F.; Sietsma, J.; Raabe, D.: Large-deformation crystal plasticity simulation of microstructure and microtexture evolution through adaptive remeshing. International Journal of Plasticity 146, 103078 (2021)

Bishara, H.; Lee, S.; Brink, T.; Ghidelli, M.; Dehm, G.: Understanding Grain Boundary Electrical Resistivity in Cu: The Effect of Boundary Structure. ACS Nano 15 (10), pp. 16607 - 16615 (2021)

Jovičević-Klug, P.; Kranjec, T.; Jovičević-Klug, M.; Kosec, T.; Podgornik, B.: Influence of the Deep Cryogenic Treatment on AISI 52100 and AISI D3 Steel’s Corrosion Resistance. Materials 14 (21), 6357 (2021)

Vasileiadis, I. G.; Lymperakis, L.; Adikimenakis, A.; Gkotinakos, A.; Devulapalli, V.; Liebscher, C.; Androulidaki, M.; Hübner, R.; Karakostas, T.; Georgakilas, A. I. et al.; Komninou, P.; Dimakis, E.; Dimitrakopulos, G. P.: Substitutional synthesis of sub-nanometer InGaN/GaN quantum wells with high indium content. Scientific Reports 11 (1), 20606 (2021)

Ahmadian, A.; Schreiber, D.; Zhou, X.; Gault, B.; Liebscher, C.; Romaner, L.; Dehm, G.: Aluminum depletion induced by co-segregation of carbon and boron in a bcc-iron grain boundary. Nature Communications 12, 6008 (2021)

Jeong, J.; Cautaerts, N.; Dehm, G.; Liebscher, C.: Automated Crystal Orientation Mapping by Precession Electron Diffraction-Assisted Four-Dimensional Scanning Transmission Electron Microscopy Using a Scintillator-Based CMOS Detector. Microscopy and Microanalysis 27 (5), pp. 1102 - 1112 (2021)

Kühbach, M. T.; Kasemer, M.; Gault, B.; Breen, A. J.: Open and strong-scaling tools for atom-probe crystallography: high-throughput methods for indexing crystal structure and orientation. Journal of Applied Crystallography 54 (Pt 5), pp. 1490 - 1508 (2021)

Lee, S.; Chatain, D.; Liebscher, C.; Dehm, G.: Structure and hardness of in situ synthesized nano-oxide strengthened CoCrFeNi high entropy alloy thin films. Scripta Materialia 203, 114044 (2021)

Traka, K.; Sedighiani, K.; Bos, C.; Lopez, J. G.; Angenendt, K.; Raabe, D.; Sietsma, J.: Topological aspects responsible for recrystallization evolution in an IF-steel sheet – Investigation with cellular-automaton simulations. Computational Materials Science 198, 110643 (2021)

Wan, D.; Ma, Y.; Sun, B.; Razavi, S. M. J.; Wang, D.; Lu, X.; Song, W.: Evaluation of hydrogen effect on the fatigue crack growth behavior of medium-Mn steels via in-situ hydrogen plasma charging in an environmental scanning electron microscope. Journal of Materials Science & Technology 85, pp. 30 - 43 (2021)

Liu, C.; Li, Z.; Lu, W.; Bao, Y.; Xia, W.; Wu, X.; Zhao, H.; Gault, B.; Liu, C.; Herbig, M. et al.; Fischer, A.; Dehm, G.; Wu, G.; Raabe, D.: Reactive wear protection through strong and deformable oxide nanocomposite surfaces. Nature Communications 12 (1), 5518 (2021)