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Yu, Y.; Sheskin, A.; Wang, Z.; Uzhansky, A.; Natanzon, Y.; Dawod, M.; Abdellaoui, L.; Schwarz, T.; Scheu, C.; Wuttig, M. et al.; Cojocaru-Mirédin, O.; Amouyal, Y.; Zhang, S.: Ostwald Ripening of Ag₂Te Precipitates in Thermoelectric PbTe: Effects of Crystallography, Dislocations, and Interatomic Bonding. Advanced Engineering Materials 14 (19), 2304442 (2024)

Yang, J.; Todorova, M.; Neugebauer, J.: Comparative analysis of surface phase diagrams in aqueous environment: Implicit vs explicit solvation models. The Journal of Chemical Physics 160 (16), 164715 (2024)

Chakraborty, P.; Mouton, I.; Gault, B.; Tehranchi, A.; Neugebauer, J.; Hickel, T.: Effect of Sn on stacking fault energies in zirconium and its hydrides. Physical Review Materials 8, 033605 (2024)

Zhu, L.-F.; Srinivasan, P.; Gong, Y.; Hickel, T.; Grabowski, B.; Körmann, F.; Neugebauer, J.: Melting properties of the refractory metals V and W and the binary VW alloy fully from first principles. Physical Review B 109, 094110 (2024)

Atila, A.; Bitzek, E.: Atomistic origins of deformation-induced structural anisotropy in metaphosphate glasses and its influence on mechanical properties. Journal of Non-Crystalline Solids 627, 122822 (2024)

Kim, S.-H.; Bhatt, S.; Schreiber, D. K.; Neugebauer, J.; Freysoldt, C.; Gault, B.; Katnagallu, S.: Understanding atom probe’s analytical performance for iron oxides using correlation histograms and ab initio calculations. New Journal of Physics 26 (3), 033021 (2024)

Liu, J.; Li, B.-S.; Gardner, H.; Gong, Y.; Liu, F.; He, G.; Moorehead, M.; Parkin, C.; Couet, A.; Wilkinson, A. J. et al.; Armstrong, D. E. .: Origin of age softening in the refractory high-entropy alloys. Science Advances 9 (49), eadj1511 (2024)

Pan, Z.; Atila, A.; Bitzek, E.; Wondraczek, L.: Topology of anisotropic glasses from persistent homology analysis. Journal of Non-Crystalline Solids 627, 122801 (2024)

Surendralal, S.; Todorova, M.; Neugebauer, J.: Laterally Resolved Free Energy Profiles and Vibrational Spectra of Chemisorbed H Atoms on Pt(111). Journal of Chemical Theory and Computation 20 (5), pp. 2192 - 2201 (2024)

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)

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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), pp. 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)