4 papers · 1 filter
Ab initio study of anomalous temperature dependence of resistivity in V-Al alloys
Gabor Csire, Oleg E. Peil
VAl is a representative example of highly resistive metallic alloys exhibiting a crossover to a negative temperature coefficient of resistivity (TCR), known as the Mooi…
Accurate ab initio modeling of solid solution strengthening in high entropy alloys
Franco Moitzi, Lorenz Romaner, Andrei V. Ruban +1
High entropy alloys (HEA) represent a class of materials with promising properties, such as high strength and ductility, radiation damage tolerance, etc. At the same time, a combin…
Inversion of Dislocation-Impurity Interactions in -Fe under Magnetic State Changes
Franco Moitzi, Lorenz Romaner, Andrei V. Ruban +3
In this work, we investigate the dislocation-impurity interaction energies and their profiles for various \textit{3d} elements \textemdash V, Cr, Mn, Cu, Ni, and Co \textemdash in…
Ab initio framework for deciphering trade-off relationships in multi-component alloys
Franco Moitzi, Lorenz Romaner, Max Hodapp +2
While first-principles methods have been successfully applied to characterize individual properties of multi-principal element alloys (MPEA), their use to search for optimal trade-…