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cond-mat.mtrl-sci2026
The effect of grain boundaries on magnetic exchange interactions in iron
Martin Zelený, Martin Heczko, Petr Šesták +3
This work investigates how grain boundaries (GBs) modify magnetic exchange interactions in bcc iron, with particular focus on the effect of phosphorus segregation. Using density-fu…
cond-mat.mtrl-sci2026
First-principles study of doping influence on twin formation in Ni-Mn-Ga nonmodulated martensite
Petr Šesták, Martin Heczko, Ladislav Straka +2
We investigate how chemical substitution reshapes the energetics of twin formation in non-modulated (NM) Ni-Mn-Ga martensite. Using density functional theory, we compute generalize…