Tehranchi, A.; Chakraborty, P.; López Freixes, M.; McEniry, E.; Gault, B.; Hickel, T.; Neugebauer, J.: Tailoring negative pressure by crystal defects: Crack induced hydride formation in Al alloys. arXiv (2022)

Chakraborty, P.; Mouton, I.; Gault, B.; Tehranchi, A.; Neugebauer, J.; Hickel, T.: Effect of Sn on Generalized Stacking Fault Energy Surfaces in Zirconium and its Hydrides. arXiv (2022)

Deißenbeck, F.; Wippermann, S. M.: Dielectric properties of nanoconfined water from ab initio thermopotentiostat molecular dynamics. arXiv (2022)

Zhou, X.; Kasian, O.; Luo, T.; Kim, S.-H.; Zhang, C.; Zhang, S.; Lee, S.; Thompson, G. B.; Dehm, G.; Gault, B. et al.; Raabe, D.: Chemical Partitioning at Crystalline Defects in PtAu as a Pathway to Stabilize Electrocatalysts. arXiv (2022)

Garcia-Suarez, J.; Brink, T.; Molinari, J.-F.: Adhesive wear as ductile fracture. arXiv (2022)

Poul, M.; Huber, L.; Bitzek, E.; Neugebauer, J.: Systematic Structure Datasets for Machine Learning Potentials: Application to Moment Tensor Potentials of Magnesium and its Defects. arXiv (2022)

Singh, M. P.; Kim, S.-H.; Zhou, X.; Kwak, H.; Antonov, S.; Aota, L. S.; Jung, C.; Jung, Y. S.; Gault, B.: Atomic scale evolution of the surface chemistry in Li[Ni,Mn,Co]O2 cathode for Li-ion batteries stored in air. arXiv (2022)

Bhatt, S.; Katnagallu, S.; Neugebauer, J.; Freysoldt, C.: Accurate computation of chemical contrast in field ion microscopy. arXiv (2022)

Douglas, J. O.; Conroy, M. A.; Giuliani, F.; Gault, B.: In-situ sputtering from the micromanipulator to enable cryogenic preparation of specimens for atom probe tomography by focused-ion beam. arXiv (2022)

Ferrari, A.; Sotskov, V.; Shapeev, A.; Körmann, F.: Modelling Surface Segregation in Compositionally Complex Alloys with Ab-Initio Accuracy. arXiv (2022)

Kang, S. G.; Gainov, R. R.; Heussen, D.; Bieler, S.; Sun, Z.; Weinberg, K.; Dehm, G.; Ramachandramoorthy, R.: Green laser powder bed fusion based fabrication and rate-dependent mechanical properties of copper lattices. arXiv (2022)

Kim, S.-H.; Dong , K.; Zhao, H.; El-Zoka, A.; Zhou, X.; Woods, E.; Giuliani, F.; Manke, I.; Raabe, D.; Gault, B.: Understanding the degradation of a model Si-anode in Li-ion battery at the atomic-scale. arXiv (2022)

Kim, S.-H.; Stephenson, L.; Kwiatkowski da Silva, A.; Gault, B.; El-Zoka, A.: Phase Separation and Anomalous Volume Expansion in Frozen Microscale Eutectic Indium-Gallium upon Remelting. arXiv (2022)

Stricker, M.; Banko, L.; Sarazin, N.; Siemer, N.; Neugebauer, J.; Ludwig, A.: Computationally accelerated experimental materials characterization -- drawing inspiration from high-throughput simulation workflows. arXiv (2022)