State Key Laboratory of Mechanical Structure Strength and Vibration

Atomistic-to-Macroscopic Mechanical Modeling of (HfNbTaZr)B2 High-Entropy Ceramics via a Developed Interatomic Potential

Atomistic investigations of high-entropy diborides (HEBs) are currently hindered by the lack of reliable interatomic potentials. Here, we develop an analytical bond-order potential (ABOP) for the Hf/Nb/Zr/Ta/B system, parameterized via an intelligent global optimization algorithm...