Suchergebnisse

Janßen, J.; Makarov, E.; Hickel, T.; Shapeev, A. V.; Neugebauer, J.: Automated optimization and uncertainty quantification of convergence parameters in plane wave density functional theory calculations. npj Computational Materials 10 (1), 263 (2024)

Menon, S.; Lysogorskiy, Y.; Knoll, A. L. M.; Leimeroth, N.; Poul, M.; Qamar, M.; Janssen, J.; Mrovec, M.; Rohrer, J.; Albe, K. et al.; Behler, J.; Drautz, R.; Neugebauer, J.: From electrons to phase diagrams with machine learning potentials using pyiron based automated workflows. npj Computational Materials 10 (1), 261 (2024)

Ding, R.; Yao, Y.; Sun, B.; Guo, H.; Zhang, J.; Shao, Y.; Zhang, C.; Liu, W.; Godfrey, A.; Yang, Z. et al.; Huang, X.; Liu, Y.; van der Zwaag, S.; Chen, H.: Strong yet ductile steels via a heterogeneous phase transformation strategy. Scripta Materialia 252, 116274 (2024)

Leineweber, A.; Stein, F.: Comment on Hajra et al.: “High-temperature phase stability and phase transformations of Niobium-Chromium Laves phase: Experimental and first-principles calculation”. Materials and Design 247, 113373 (2024)

Warden, G. K.; Ebbinghaus, P.; Rabe, M.; Juel, M.; Gaweł, B. A.; Erbe, A.; Di Sabatino, M.: Investigation of uniformity in fused quartz crucibles for Czochralski silicon ingots. Journal of Crystal Growth 645, 127844 (2024)

Wittrock, A.; Heermant, S.; Beckmann, C.; Wimmer, M.; Fischer, A.; Aßmann, M.; Debus, J.: Protein-metal interactions due to fretting corrosion at the taper junction of hip implants: An in vitro investigation using Raman spectroscopy. Acta Biomaterialia 189, S. 621 - 632 (2024)

Liu, C.; Rao, J.; Sun, Z.; Lu, W.; Best, J. P.; Li, X.; Xia, W.; Gong, Y.; Wei, Y.; Zhang, B. et al.; Ding, J.; Wu, G.; Ma, E.: Near-theoretical strength and deformation stabilization achieved via grain boundary segregation and nano-clustering of solutes. Nature Communications 15, 9283 (2024)

Devulapalli, V.; Chen, E.; Brink, T.; Frolov, T.; Liebscher, C.: Topological grain boundary segregation transitions. Science 386 (6720), S. 420 - 424 (2024)

Jovičević-Klug, P.; Prabhakar, J. M.; Kasdorf Giesbrecht, C.; Schwarz, T.; Bonnekoh, C.; Rieth, M.; Rohwerder, M.: Hydrogen diffusion and trapping in a cryogenic processed high-Cr ferrous alloy. npj Materials Degradation 8 (1), 104 (2024)

Geng, X.; Vega-Paredes, M.; Wang, Z.; Ophus, C.; Lu, P.; Ma, Y.; Zhang, S.; Scheu, C.; Liebscher, C.; Gault, B.: Grain boundary engineering for efficient and durable electrocatalysis. Nature Communications 15, 8534 (2024)

Pei, Z.; Gong, Y.; Liu, X.; Yin, J.: Designing complex concentrated alloys with quantum machine learning and language modeling. Matter 7, S. 3433 - 3446 (2024)

Deißenbeck, F.; Surendralal, S.; Todorova, M.; Wippermann, S. M.; Neugebauer, J.: Revealing the Reaction Pathway of Anodic Hydrogen Evolution at Magnesium Surfaces in Aqueous Electrolytes. Journal of the American Chemical Society 146 (44), S. 30314 - 30319 (2024)

Isotta, E.; Jiang, S.; Bueno Villoro, R.; Nagahiro, R.; Maeda, K.; Mattlat, D. A.; Odufisan, A. R.; Zevalkink, A.; Shiomi, J.; Zhang, S. et al.; Scheu, C.; Snyder, G. J.; Balogun, O.: Heat Transport at Silicon Grain Boundaries. Advanced Functional Materials 34 (40), 2405413 (2024)

Jang, K.; Ko, W.-S.; Son, J.-H.; Jang, J.-I.; Kim, B.; Vega-Paredes, M.; Jang, H.; Allahyari, M.; Kim, S.-H.; Ryou, K. et al.; Chae, D.; Park, H.; Jung, Y. S.; Oh, M.-W.; Jung, C.; Scheu, C.; Choi, P.-P.: Impact of Hierarchical Dopant-Induced Microstructure on Thermoelectric Properties of p-Type Si–Ge Alloys Revealed by Comprehensive Multi-Scale Characterization. Advanced Functional Materials 34 (40), 2403785 (2024)

Khayatan, N.; Prabhakar, J. M.; Jalilian, E.; Madelat, N.; Terryn, H.; Rohwerder, M.: On the rate determining step of cathodic delamination of delamination-resistant organic coatings. Corrosion Science 239, 112396 (2024)

Kini, M. K.; Lee, S.; Savan, A.; Breitbach, B.; Ghidelli, M.; Ludwig, A.; Scheu, C.; Chatain, D.; Best, J. P.; Dehm, G.: Equiatomic CoCrFeNi Thin Films on C-Sapphire: The Role of Twins and Orientation Relationships. Advanced Engineering Materials 26 (19), 2400720 (2024)

Sevlikar, S. V.; Muralikrishna, G. M.; Gaertner, D.; Starikov, S.; Brink, T.; Scheiber, D.; Smirnova, D.; Irmer, D.; Tas, B.; Esin, V. A. et al.; Razumovskiy, V. I.; Liebscher, C.; Wilde, G.; Divinski, S. V.: Grain boundary diffusion and segregation of Cr in Ni Σ11(1̄13)[110] bicrystals: Decoding the role of grain boundary defects. Acta Materialia 278, 120229 (2024)

Xie, Z.; Chauraud, D.; Bitzek, E.; Korte-Kerzel, S.; Guénolé, J.: On the Temperature and Composition Dependence of Non-basal Stacking Faults in C14 Laves Phases. Advanced Engineering Materials 26 (20), 2400885 (2024)

Yu, J.; Wang, Z.; Saksena, A.; Wei, S.; Wei, Y.; Colnaghi, T.; Marek, A.; Rampp, M.; Song, M.; Gault, B. et al.; Li, Y.: 3D deep learning for enhanced atom probe tomography analysis of nanoscale microstructures. Acta Materialia 278, 120280 (2024)

Han, L.; Zhu, S.; Rao, Z.; Scheu, C.; Ponge, D.; Ludwig, A.; Zhang, H.; Gutfleisch, O.; Hahn, H.; Li, Z. et al.; Raabe, D.: Multifunctional high-entropy materials. Nature Reviews Materials 9 (12), S. 846 - 865 (2024)