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)

Fabritius-Vilpoux, K.; Enax, J.; Mayweg, D.; Meyer, F.; Herbig, M.; Raabe, D.; Fabritius, H.-O.: Ultrastructural changes of bovine tooth surfaces under erosion in presence of biomimetic hydroxyapatite. Bioinspired, Biomimetic and Nanobiomaterials 10 (4), pp. 132 - 145 (2021)

Jovičević-Klug, P.; Sedlaček, M.; Jovičević-Klug, M.; Podgornik, B.: Effect of Deep Cryogenic Treatment on Wear and Galling Properties of High-Speed Steels. Materials 14 (24), 7561 (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)

Wang, C.; Wang, Z.; Zhao, D.; Ren, J.; Liu, S.; Tang, H.; Xu, P.; Gao, F.; Yue, X.; Yang, H. et al.; Niu, C.; Chu, W.; Wang, D.; Liu, X.; Wang, Z.; Wu, Y.; Zhang, Y.: Core-Shell Co₂VO₄/Carbon Composite Anode for Highly Stable and Fast-Charging Sodium-Ion Batteries. ACS Applied Materials & Interfaces 13 (46), pp. 55020 - 55028 (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)

Heena Khanchandani; Se-Ho Kim; Rama Srinivas Varanasi; Leigh Stephenson; Baptiste Gault: Hydrogen and deuterium charging of site-specific specimen for atom probe tomography. Open Research Europe 1, 122 (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)