3 papers
cond-mat.mtrl-sci2026
The chemistry of embrittlement: How hydrogen dwindles cohesion in iron during fracture
Aleksei Egorov
Normally strong and tough, steel$\unicode{x2014}$with iron as its base$\unicode{x2014}$falls prey to severe embrittlement when infiltrated by hydrogen; the insights into why are no…
cond-mat.mtrl-sci2026
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…
cond-mat.mtrl-sci2024
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…