Capturing short-range order in high-entropy alloys with machine learning potentials

Y Cao, K Sheriff, R Freitas - arxiv preprint arxiv:2401.06622, 2024 - arxiv.org
Chemical short-range order (SRO) affects the distribution of elements throughout the solid-
solution phase of metallic alloys, thereby modifying the background against which …

Bayesian blacksmithing: discovering thermomechanical properties and deformation mechanisms in high-entropy refractory alloys

J Startt, MJ McCarthy, MA Wood, S Donegan… - npj Computational …, 2024 - nature.com
Finding alloys with specific design properties is challenging due to the large number of
possible compositions and the complex interactions between elements. This study …

Roadmap for the development of machine learning-based interatomic potentials

YW Zhang, V Sorkin, ZH Aitken… - … and Simulation in …, 2025 - iopscience.iop.org
An interatomic potential, traditionally regarded as a mathematical function, serves to depict
atomic interactions within molecules or solids by expressing potential energy concerning …

[HTML][HTML] Exact average many-body interatomic interaction model for random alloys

M Hodapp - Computational Materials Today, 2025 - Elsevier
Understanding the physical origin of mechanisms in random alloys that lead to the formation
of microstructures requires an understanding of their average behavior and, equally …

Section 12–Capturing chemical complexity in high-entropy materials

K Sheriff, Y Cao, R Freitas - Roadmap for the development of machine … - iopscience.iop.org
High-entropy materials are metallic or ceramic systems composed of three or more chemical
elements mixed in nearly equiatomic concentrations [1, 2]. These design choices lead to …