211 citations · 705 across the 31 of their papers we have counts for
26 papers · 1 filter
Zonal dislocations in Laves phases: A coupled synchro-shear slip mechanism
Sang-Hyeok Lee, Mariano Forti, Thomas Hammerschmidt +6
Synchro-shear is the primary plastic deformation mechanism in Laves phases at elevated temperatures, mediated by synchro-Shockley partial dislocations-zonal dislocations that proce…
A general-purpose atomic cluster expansion interatomic potential for niobium
Aleksei Egorov, Ralf Drautz, Thomas Hammerschmidt
Niobium, a body-centered cubic transition metal, poses a challenge for interatomic potentials, which struggle to capture its properties, such as phonons, high-pressure behavior, en…
Data-efficient machine-learning of complex Fe-Mo intermetallics using domain knowledge of chemistry and crystallography
Mariano Forti, Alesya Malakhova, Yury Lysogorskiy +5
Atomistic simulations of multi-component systems require accurate descriptions of interatomic interactions to resolve details in the energy of competing phases. A particularly chal…
Stacking fault segregation imaging with analytical field ion microscopy
F. F. Morgado, L. T. Stephenson, S. Bhatt +8
Stacking faults (SF) are important structural defects that play an essential role in the deformation of engineering alloys. However, direct observation of stacking faults at the at…
Core structure of dislocations in ordered ferromagnetic FeCo
Aleksei Egorov, Antoine Kraych, Matous Mrovec +2
We elucidated the core structure of screw dislocations in ordered B2 FeCo using a recent magnetic bond-order potential (BOP) [Egorov et al., Phys. Rev. Mater. 7, 044403 (2023)]. We…
Ab initio study of transition paths between (meta)stable phases of Nb and Ta-substituted Nb
Susanne Kunzmann, Thomas Hammerschmidt, Gabi Schierning +1
Although Niobium is a well characterized material it still shows some anomalies that are not yet understood. Therefore we revisit its metastable phases using density functional the…