Publications

Journal Article (534)

1.
Journal Article
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)
2.
Journal Article
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)
3.
Journal Article
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)
4.
Journal Article
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)
5.
Journal Article
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)
6.
Journal Article
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)
7.
Journal Article
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)
8.
Journal Article
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)
9.
Journal Article
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)
10.
Journal Article
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. arxiv Condensed Matter (2023)
11.
Journal Article
Bhatt, S.; Katnagallu, S.; Neugebauer, J.; Freysoldt, C.: Accurate computation of chemical contrast in field ion microscopy. Physical Review B 107 (23), 235413 (2023)
12.
Journal Article
Xie, Z.; Chauraud, D.; Atila, A.; Bitzek, E.; Korte-Kerzel, S.; Guénolé, J.: Unveiling the mechanisms of motion of synchro-Shockley dislocations in Laves phases. Physical Review Materials 7, 053605 (2023)
13.
Journal Article
Tapia, E. M.; Patrick, C. E.; Hickel, T.; Neugebauer, J.; Staunton, J. B.: Quantification of electronic and magnetoelastic mechanisms of first-order magnetic phase transitions from first principles: application to caloric effects in La(FexSi1−x)13. Journal of Physics: Energy 5, 034004 (2023)
14.
Journal Article
Starikov, S.; Smirnova, D.: Details of structure transformations in pure uranium and U-Mo alloys: Insights from classical atomistic simulation. Journal of Nuclear Materials 576, 154265 (2023)
15.
Journal Article
Ferrari, A.; Körmann, F.; Asta, M. D.; Neugebauer, J.: Simulating short-range order in compositionally complex materials. Nature Computational Science 3 (3), pp. 221 - 229 (2023)
16.
Journal Article
Raabe, D.; Mianroodi, J. R.; Neugebauer, J.: Accelerating the design of compositionally complex materials via physics-informed artificial intelligence. Nature Computational Science 3 (3), pp. 198 - 209 (2023)
17.
Journal Article
Kumar, N.; Lee, Y.; Lee, G.; Lee, S.; Lee, T.; Yoo, S.-H.; Stampfl, C.; Soon, A.; Jang, W.: Oxidic structures on copper-gold alloy nanofacets. Applied Surface Science 613, 155913 (2023)
18.
Journal Article
Poul, M.; Huber, L.; Bitzek, E.; Neugebauer, J.: Systematic atomic structure datasets for machine learning potentials: Application to defects in magnesium. Physical Review B 107, 104103 (2023)
19.
Journal Article
Kiranbabu, S.; Qin, Y.; Sreekala, L.; Das, S. M.; Pippan, R.; Morsdorf, L.; Herbig, M.: Decomposition-resistant carbonitride precipitates in X30CrMoN15-1 high-nitrogen bearing steel deformed by high-pressure torsion. Materials Science and Engineering A: Structural Materials Properties Microstructure and Processing 863, 144529 (2023)
20.
Journal Article
Sözen, H. I.; Ener, S.; Maccari, F.; Fayyazi, B.; Gutfleisch, O.; Neugebauer, J.; Hickel, T.: Combined ab initio and experimental screening of phase stabilities in the Ce–Fe–Ti–X system (X=3d and 4d metals). Physical Review Materials 7 (1), 014410 (2023)
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