Publications

Lakshmipathy, T.; Steinmann, P.; Bitzek, E.: LEFM is agnostic to geometrical nonlinearities arising at atomistic crack tips. Forces in Mechanics 9, 100127 (2022)

Ren, J.; Wang, Z.; Xu, P.; Wang, C.; Gao, F.; Zhao, D.; Liu, S.; Yang, H.; Wang, D.; Niu, C. et al.; Zhu, Y.; Wu, Y.; Liu, X.; Wang, Z.; Zhang, Y.: Porous Co₂VO₄ Nanodisk as a High-Energy and Fast-Charging Anode for Lithium-Ion Batteries. Nano-Micro Letters 14 (1), 5 (2022)

Zhang, X.; Zhang, J.; Wang, H.; Rogal, J.; Li, H.-Y.; Wei, S.-H.; Hickel, T.: Defect-characterized phase transition kinetics. Applied Physics Reviews 9 (4), 041311 (2022)

Ghosh, S.; Sotskov, V.; Shapeev, A.; Neugebauer, J.; Körmann, F.: Short-range order and phase stability of CrCoNi explored with machine learning potentials. Physical Review Materials 6 (11), 113804 (2022)

Dong, X.; Wang, D.; Prithiv, T. S.; Tehranchi, A.; Ponge, D.; Sun, B.: Hydrogen-associated decohesion and localized plasticity in a high-Mn and high-Al two-phase lightweight steel. Acta Materialia 239, 118296 (2022)

Rao, Z.; Tung, P.-Y.; Xie, R.; Wei, Y.; Zhang, H.; Ferrari, A.; Klaver, T. P. C.; Körmann, F.; Prithiv, T. S.; Kwiatkowski da Silva, A. et al.; Chen, Y.; Li, Z.; Ponge, D.; Neugebauer, J.; Gutfleisch, O.; Bauer, S.; Raabe, D.: Machine learning–enabled high-entropy alloy discovery. Science 378 (6615), pp. 78 - 85 (2022)

Zhou, D.; Zhang, X.; Tehranchi, A.; Hou, J.; Lu, W.; Hickel, T.; Ponge, D.; Raabe, D.; Zhang, D.: Stacking faults in a mechanically strong Al(Mg)–Al₃Mg₂ composite. Composites Part B: Engineering 245, 110211 (2022)

Goniakowski, J.; Menon, S.; Laurens, G.; Lam, J.: Nonclassical Nucleation of Zinc Oxide from a Physically Motivated Machine-Learning Approach. The Journal of Physical Chemistry C 126 (40), pp. 17456 - 17469 (2022)

Patil, P.; Lee, S.; Dehm, G.; Brinckmann, S.: Influence of crystal orientation on twinning in austenitic stainless-steel during single micro-asperity tribology and nanoindentation. WEAR 504-505, 204403 (2022)

Vaid, A.; Wei, D.; Bitzek, E.; Nasiri, S.; Zaiser, M.: Pinning of extended dislocations in atomically disordered crystals. Acta Materialia 236, 118095 (2022)

Sasidhar, K. N.; Hamidi Siboni, N.; Mianroodi, J. R.; Rohwerder, M.; Neugebauer, J.; Raabe, D.: Deep learning framework for uncovering compositional and environmental contributions to pitting resistance in passivating alloys. npj Materials Degradation 6 (1), 71 (2022)

Ouldhnini, Y.; Atila, A.; Ouaskit, S.; Hasnaoui, A.: Density-Diffusion Relationship in Soda-Lime Phosphosilicate. Journal of Non-Crystalline Solids 590, 121665 (2022)

Gault, B.; Klaes, B.; Morgado, F. F.; Freysoldt, C.; Li, Y.; De Geuser, F.; Stephenson, L.; Vurpillot, F.: Reflections on the Spatial Performance of Atom Probe Tomography in the Analysis of Atomic Neighborhoods. Microscopy and Microanalysis 28 (4), pp. 1116 - 1126 (2022)

Webler, R.; Baranova, P. N.; Karewar, S.; Möller, J. J.; Neumeier, S.; Göken, M.; Bitzek, E.: On the influence of Al-concentration on the fracture toughness of NiAl: Microcantilever fracture tests and atomistic simulations. Acta Materialia 234, 117996 (2022)

Krauß, S.; Seynstahl, A.; Tremmel, S.; Meyer, B.; Bitzek, E.; Göken, M.; Yokosawa, T.; Zubiri, B. A.; Spiecker, E.; Merle, B.: Structural reorientation and compaction of porous MoS₂ coatings during wear testing. WEAR 500-501, 204339 (2022)

Zhou, Y.; Srinivasan, P.; Körmann, F.; Grabowski, B.; Smith, R.; Goddard, P.; Duff, A. I.: Thermodynamics up to the melting point in a TaVCrW high entropy alloy: Systematic ab initio study aided by machine learning potentials. Physical Review B 105 (21), 214302 (2022)

Dsouza, R.; Huber, L.; Grabowski, B.; Neugebauer, J.: Approximating the impact of nuclear quantum effects on thermodynamic properties of crystalline solids by temperature remapping. Physical Review B 105 (18), 184111 (2022)

Chung, H.; Kim, D. W.; Cho, W. J.; Han, H. N.; Ikeda, Y.; Ishibashi, S.; Körmann, F.; Sohn, S. S.: Effect of solid-solution strengthening on deformation mechanisms and strain hardening in medium-entropy V_1-xCr_xCoNi alloys. Journal of Materials Science & Technology 108, pp. 270 - 280 (2022)

Schaarschmidt, J.; Yuan, J.; Strunk, T.; Kondov, I.; Huber, S. P.; Pizzi, G.; Kahle, L.; Bolle, F. T.; Castelli, I. E.; Vegge, T. et al.; Hanke, F.; Hickel, T.; Neugebauer, J.; Rego, C. R. C.; Wenzel, W.: Workflow Engineering in Materials Design within the BATTERY 2030+Project. Advanced Energy Materials 12 (17), 2102638 (2022)

Hiremath, P.; Melin, S.; Bitzek, E.; Olsson, P. A. T.: Effects of interatomic potential on fracture behaviour in single- and bicrystalline tungsten. Computational Materials Science 207 (18), 111283 (2022)