Dsouza, R.; Poul, M.; Huber, L.; Swinburne, T. D.; Neugebauer, J.: Sampling-free computation of finite temperature material properties in isochoric and isobaric ensembles using the mean-field anharmonic bond model. Physical Review B 109, 064108 (2024)

Hieke, S. W.; Frank, A.; Duarte, M. J.; Gopalan, H.; Patil, P.; Wetegrove, M.; Rohloff, M.; Kruth, A.; Pistidda, C.; Dornheim, M. et al.; Taube, K.; Dehm, G.; Scheu, C.: Stability and Failure Mechanisms of Al₂O₃|Al Bilayer Coatings Exposed to 300 Bar Hydrogen at 673 K. Advanced Engineering Materials 26 (4), 2300619 (2024)

Neuß, D.; McCaroll, I.; Zhang, S.; Woods, E.; Delis, W. J.; Tanure, L.; Springer, H.; Sandlöbes, S.; Yang, J.; Todorova, M. et al.; Zander, D.; Scheu, C.; Schneider, J. M.; Hans, M.: High-resolution chemical and structural characterization of the native oxide scale on a Mg-based alloy. Corrosion Science 227, 111776 (2024)

Best, J. P.; Kanjilal, A.; Ghafarollahi, A.; Rehman, U.; Tian, C.; Bishara, H.; Bhat, M. K.; Christiansen, L.; Bitzek, E.; Stein, F. et al.; Dehm, G.: Fracture of the C15 CaAl₂ Laves phase at small length scales. Journal of Materials Science 59, S. 12677 - 12694 (2024)

Geng, X.; Vega-Paredes, M.; Lu, X.; Chakraborty, P.; Li, Y.; Scheu, C.; Wang, Z.; Gault, B.: Concave Grain Boundaries Stabilized by Boron Segregation for Efficient and Durable Oxygen Reduction. Advanced Materials, 2404839 (2024)

Li, Y.; Wei, Y.; Wang, Z.; Liu, X.; Colnaghi, T.; Han, L.; Rao, Z.; Zhou, X.; Huber, L.; Dsouza, R. et al.; Gong, Y.; Neugebauer, J.; Marek, A.; Rampp, M.; Bauer, S.; Li, H.; Baker, I.; Stephenson, L.; Gault, B.: Quantitative three-dimensional imaging of chemical short-range order via machine learning enhanced atom probe tomography. Nature Communications 14 (1), 7410 (2023)

Tehranchi, A.; Chakraborty, P.; López Freixes, M.; McEniry, E.; Gault, B.; Hickel, T.; Neugebauer, J.: Tailoring negative pressure by crystal defects: Microcrack induced hydride formation in Al alloys. Physical Review Materials 7, 105401 (2023)

Tian, C.; Ma, Y.; Ghafarollahi, A.; Patil, P.; Dehm, G.; Bitzek, E.; Rasiński, M.; Best, J. P.: Segregation-enhanced grain boundary embrittlement of recrystallised tungsten evidenced by site-specific microcantilever fracture. Acta Materialia 259, 119256 (2023)

Saxena, A.; Polin, N.; Kusampudi, N.; Katnagallu, S.; Molina-Luna, L.; Gutfleisch, O.; Berkels, B.; Gault, B.; Neugebauer, J.; Freysoldt, C.: A Machine Learning Framework for Quantifying Chemical Segregation and Microstructural Features in Atom Probe Tomography Data. Microscopy and Microanalysis 29 (5), S. 1658 - 1670 (2023)

Xie, Z.; Chauraud, D.; Atila, A.; Bitzek, E.; Korte-Kerzel, S.; Guénolé, J.: Thermally activated nature of synchro-Shockley dislocations in Laves phases. Scripta Materialia 235, 115588 (2023)

Yilmaz, C.; Poul, M.; Lahn, L.; Raabe, D.; Zaefferer, S.: Dislocation-assisted particle dissolution: A new hypothesis for abnormal growth of Goss grains in grain-oriented electrical steels. Acta Materialia 258, 119170 (2023)

Ganisetti, S.; Atila, A.; Guénolé, J.; Prakash, A.; Horbach, J.; Wondraczek, L.; Bitzek, E.: The origin of deformation induced topological anisotropy in silica glass. Acta Materialia 257, 119108 (2023)

Kumar, K. B. S.; Todorova, M.; Neugebauer, J.: Construction and analysis of surface phase diagrams to describe segregation and dissolution behavior of Al and Ca in Mg alloys. Physical Review Materials 7, 095802 (2023)

Sarma, D.; Saikia, U.; Sahariah, M. B.: He clustering and role of vacancy in CuZr system. Journal of Nuclear Materials 583, 154488 (2023)

Jang, T. J.; Lee, Y. N.; Ikeda, Y.; Körmann, F.; Baek, J.-H.; Do, H.-S.; Choi, Y. T.; Gwon, H.; Suh, J.-Y.; Kim, H. S. et al.; Lee, B.-J.; Zargaran, A.; Sohn, S. S.: Compositive role of refractory element Mo in improving strength and ductility of face-centered-cubic complex concentrated alloys. Acta Materialia 255, 119030 (2023)

Yoo, S.-H.; Aota, L. S.; Shin, S.; El-Zoka, A. A.; Kang, P. W.; Lee, Y.; Lee, H.; Kim, S.-H.; Gault, B.: Dopant Evolution in Electrocatalysts after Hydrogen Oxidation Reaction in an Alkaline Environment. ACS Energy Letters 8 (8), S. 3381 - 3386 (2023)

Gehringer, D.; Huber, L.; Neugebauer, J.; Holec, D.: Segregation to α₂/γ interfaces in TiAl alloys: A multiscale QM/MM study. Physical Review Materials 7 (6), 063604 (2023)

Yoo, S.-H.; Todorova, M.; Neugebauer, J.; Van de Walle, C. G.: Microscopic Origin of Polarization Charges at GaN/(Al,Ga)N Interfaces. Physical Review Applied 19, 064037 (2023)

Bhatt, S.; Katnagallu, S.; Neugebauer, J.; Freysoldt, C.: Accurate computation of chemical contrast in field ion microscopy. Physical Review B 107 (23), 235413 (2023)

Saikia, U.; Sahariah, M. B.; Dutta, B.; Pandey, R.: Structure, stability and defect energetics of interfaces formed between conventional and transformed phases in Cu–Nb layered nanocomposite. Physica Scripta 98 (6), 065959 (2023)