Author

B. Gurrutxaga-Lerma

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Open access Oct 2026

Channel resolved field emission beyond the work function: a quantum statistical approach.

Cold field emission is almost universally analysed through the Fowler-Nordheim law, in which the metal enters only as a scalar work function and a free electron supply density. We show that the emitted current is instead controlled by the channel resolved overlap between the vacuum escape kernel and the occupied bounda...

B. Gurrutxaga-Lerma · Journal of Physics: Condense... · 0 citations

Review Open access Sep 2026

Molecular modelling of high-entropy alloys: from quantum to atomistic, and machine learning

High-entropy alloys (HEAs), characterized by complex multielement compositions, offer broad opportunities to tune mechanical, corrosion, thermal, wetting, and functional properties, while their vast configurational space makes molecular modelling essential. This review evaluates progress across computational thermody...

M. Pellegrino, Mokhtar Ganjali Koli, Fabiano Tarulli et al. · npj Computational Materials · 0 citations

Open access Jul 2026

Thermodynamics and phase stability of the AlTiCrMoW high-entropy alloy simulated using machine-learned interatomic potentials

High-entropy alloys (HEAs) possess exceptional mechanical properties and thermal stability, yet their vast compositional space and complex atomic arrangements present significant challenges for property prediction and design. To overcome this, we have trained a machine-learned interatomic potential (MLIP) for the AlTiC...

Joseph E. Arnold, C. D. Woodgate, Roohollah Hafizi et al. · PHYSICAL REVIEW MATERIALS · 1 citation