4 papers
Dyna-Mat: End-to-end benchmarking of foundation machine learning interatomic potentials in finite-temperature ensembles
MikoÅaj J. Gawkowski, Nongnuch Artrith, Silvia Bonfanti +14
Foundation machine learning interatomic potentials (MLIPs) are increasingly being used as drop-in replacements for first-principles calculations, enabling simulations of materials…
Structure-Dependent Chemical Order Modification in Strained Alloy Nanoparticles
Yue Wang, Zibo Chen, Evropi Toulkeridou +2
Alloy nanoparticles (nanoalloys) exhibit tuneable physicochemical properties that depend sensitively on their atomic arrangement, making control over chemical ordering a central ch…
Nanoscale Phase Distribution Governs Exchange Bias in Multiphase Magnetic Nanoparticles
Murtaza Bohra, Stefanos Giaremis, Vidyadhar Singh +3
Exchange bias at ferromagnet-antiferromagnet interfaces underpins magnetic memory, spintronic devices, and nanoscale electromagnetic technologies, yet its behaviour in complex nano…
Order-disorder duality of high entropy alloys extends non-linear optics
Valentin A. Milichko, Ekaterina Gunina, Nikita Kulachenkov +21
Order versus disorder in the structure of materials plays a key role in the theoretical prediction of their properties. However, this structural description appears to be ineffecti…